disodium;7-[7-[7-[7-[2,2-diphenyl-7-[3-[2-[2-(trifluoromethyl)phenyl]ethyl]-1H-pyrazole-5-carbonyl]oxy-1,3-benzodioxole-5-carbonyl]oxy-2,2-diphenyl-1,3-benzodioxole-5-carbonyl]oxy-2,2-diphenyl-1,3-benzodioxole-5-carbonyl]oxy-2,2-diphenyl-1,3-benzodioxole-5-carbonyl]oxy-2,2-diphenyl-1,3-benzodioxole-5-carboxylic acid;hydrazine;(Z)-3-hydroxy-7-[2-(trifluoromethyl)phenyl]hept-3-ene-2,5-dione;methane;[6-[[6-[[6-[[6-[(2-methylpropan-2-yl)oxycarbonyl]-2,2-diphenyl-1,3-benzodioxol-4-yl]oxycarbonyl]-2,2-diphenyl-1,3-benzodioxol-4-yl]oxycarbonyl]-2,2-diphenyl-1,3-benzodioxol-4-yl]oxycarbonyl]-2,2-diphenyl-1,3-benzodioxol-4-yl] 7-hydroxy-2,2-diphenyl-1,3-benzodioxole-5-carboxylate;[6-[[6-[[6-[[6-[[6-[(2-methylpropan-2-yl)oxycarbonyl]-2,2-diphenyl-1,3-benzodioxol-4-yl]oxycarbonyl]-2,2-diphenyl-1,3-benzodioxol-4-yl]oxycarbonyl]-2,2-diphenyl-1,3-benzodioxol-4-yl]oxycarbonyl]-2,2-diphenyl-1,3-benzodioxol-4-yl]oxycarbonyl]-2,2-diphenyl-1,3-benzodioxol-4-yl] 3-[2-[2-(trifluoromethyl)phenyl]ethyl]-1H-pyrazole-5-carboxylate;oxolane;2-(trifluoromethyl)benzaldehyde;4-[2-(trifluoromethyl)phenyl]butan-2-one;(E)-4-[2-(trifluoromethyl)phenyl]but-3-en-2-one;5-[2-[2-(trifluoromethyl)phenyl]ethyl]-1H-pyrazole-3-carboxylic acid;1-[5-[2-[2-(trifluoromethyl)phenyl]ethyl]-1H-pyrazol-3-yl]ethanone;dihydroxide

C412H308F24N10Na2O77 — CID 165071239

IUPACdisodium;7-[7-[7-[7-[2,2-diphenyl-7-[3-[2-[2-(trifluoromethyl)phenyl]ethyl]-1H-pyrazole-5-carbonyl]oxy-1,3-benzodioxole-5-carbonyl]oxy-2,2-diphenyl-1,3-benzodioxole-5-carbonyl]oxy-2,2-diphenyl-1,3-benzodioxole-5-carbonyl]oxy-2,2-diphenyl-1,3-benzodioxole-5-carbonyl]oxy-2,2-diphenyl-1,3-benzodioxole-5-carboxylic acid;hydrazine;(Z)-3-hydroxy-7-[2-(trifluoromethyl)phenyl]hept-3-ene-2,5-dione;methane;[6-[[6-[[6-[[6-[(2-methylpropan-2-yl)oxycarbonyl]-2,2-diphenyl-1,3-benzodioxol-4-yl]oxycarbonyl]-2,2-diphenyl-1,3-benzodioxol-4-yl]oxycarbonyl]-2,2-diphenyl-1,3-benzodioxol-4-yl]oxycarbonyl]-2,2-diphenyl-1,3-benzodioxol-4-yl] 7-hydroxy-2,2-diphenyl-1,3-benzodioxole-5-carboxylate;[6-[[6-[[6-[[6-[[6-[(2-methylpropan-2-yl)oxycarbonyl]-2,2-diphenyl-1,3-benzodioxol-4-yl]oxycarbonyl]-2,2-diphenyl-1,3-benzodioxol-4-yl]oxycarbonyl]-2,2-diphenyl-1,3-benzodioxol-4-yl]oxycarbonyl]-2,2-diphenyl-1,3-benzodioxol-4-yl]oxycarbonyl]-2,2-diphenyl-1,3-benzodioxol-4-yl] 3-[2-[2-(trifluoromethyl)phenyl]ethyl]-1H-pyrazole-5-carboxylate;oxolane;2-(trifluoromethyl)benzaldehyde;4-[2-(trifluoromethyl)phenyl]butan-2-one;(E)-4-[2-(trifluoromethyl)phenyl]but-3-en-2-one;5-[2-[2-(trifluoromethyl)phenyl]ethyl]-1H-pyrazole-3-carboxylic acid;1-[5-[2-[2-(trifluoromethyl)phenyl]ethyl]-1H-pyrazol-3-yl]ethanone;dihydroxide
SMILESC.C.C.C1CCOC1.CC(=O)/C(O)=C/C(=O)CCc1ccccc1C(F)(F)F.CC(=O)/C=C/c1ccccc1C(F)(F)F.CC(=O)CCc1ccccc1C(F)(F)F.CC(=O)c1cc(CCc2ccccc2C(F)(F)F)[nH]n1.CC(C)(C)OC(=O)c1cc(OC(=O)c2cc(OC(=O)c3cc(OC(=O)c4cc(OC(=O)c5cc(O)c6c(c5)OC(c5ccccc5)(c5ccccc5)O6)c5c(c4)OC(c4ccccc4)(c4ccccc4)O5)c4c(c3)OC(c3ccccc3)(c3ccccc3)O4)c3c(c2)OC(c2ccccc2)(c2ccccc2)O3)c2c(c1)OC(c1ccccc1)(c1ccccc1)O2.CC(C)(C)OC(=O)c1cc(OC(=O)c2cc(OC(=O)c3cc(OC(=O)c4cc(OC(=O)c5cc(OC(=O)c6cc(CCc7ccccc7C(F)(F)F)n[nH]6)c6c(c5)OC(c5ccccc5)(c5ccccc5)O6)c5c(c4)OC(c4ccccc4)(c4ccccc4)O5)c4c(c3)OC(c3ccccc3)(c3ccccc3)O4)c3c(c2)OC(c2ccccc2)(c2ccccc2)O3)c2c(c1)OC(c1ccccc1)(c1ccccc1)O2.NN.O=C(O)c1cc(CCc2ccccc2C(F)(F)F)[nH]n1.O=C(O)c1cc(OC(=O)c2cc(OC(=O)c3cc(OC(=O)c4cc(OC(=O)c5cc(OC(=O)c6cc(CCc7ccccc7C(F)(F)F)n[nH]6)c6c(c5)OC(c5ccccc5)(c5ccccc5)O6)c5c(c4)OC(c4ccccc4)(c4ccccc4)O5)c4c(c3)OC(c3ccccc3)(c3ccccc3)O4)c3c(c2)OC(c2ccccc2)(c2ccccc2)O3)c2c(c1)OC(c1ccccc1)(c1ccccc1)O2.O=Cc1ccccc1C(F)(F)F.[Na+].[Na+].[OH-].[OH-]
InChIInChI=1S/C117H79F3N2O22.C113H71F3N2O22.C104H70O21.C14H13F3N2O.C14H13F3O3.C13H11F3N2O2.C11H11F3O.C11H9F3O.C8H5F3O.C4H8O.3CH4.H4N2.2Na.2H2O/c1-111(2,3)144-109(127)76-64-93(103-99(69-76)138-116(142-103,85-53-30-12-31-54-85)86-55-32-13-33-56-86)132-107(125)74-62-91(101-97(67-74)136-114(140-101,81-45-22-8-23-46-81)82-47-24-9-25-48-82)130-105(123)72-60-90(100-95(65-72)134-112(139-100,77-37-14-4-15-38-77)78-39-16-5-17-40-78)129-106(124)73-61-92(102-96(66-73)135-113(141-102,79-41-18-6-19-42-79)80-43-20-7-21-44-80)131-108(126)75-63-94(104-98(68-75)137-115(143-104,83-49-26-10-27-50-83)84-51-28-11-29-52-84)133-110(128)89-70-87(121-122-89)59-58-71-36-34-35-57-88(71)117(118,119)120;114-113(115,116)85-54-32-31-33-68(85)55-56-84-67-86(118-117-84)107(125)130-91-62-73(66-96-101(91)140-112(135-96,82-50-27-9-28-51-82)83-52-29-10-30-53-83)106(124)129-90-61-72(65-95-100(90)139-111(134-95,80-46-23-7-24-47-80)81-48-25-8-26-49-81)105(123)128-89-60-71(64-94-99(89)138-110(133-94,78-42-19-5-20-43-78)79-44-21-6-22-45-79)104(122)127-88-59-70(63-93-98(88)137-109(132-93,76-38-15-3-16-39-76)77-40-17-4-18-41-77)103(121)126-87-57-69(102(119)120)58-92-97(87)136-108(131-92,74-34-11-1-12-35-74)75-36-13-2-14-37-75;1-99(2,3)125-98(110)68-58-83(93-88(63-68)119-104(124-93,77-50-30-12-31-51-77)78-52-32-13-33-53-78)114-97(109)67-57-82(92-87(62-67)118-103(123-92,75-46-26-10-27-47-75)76-48-28-11-29-49-76)113-96(108)66-56-81(91-86(61-66)117-102(122-91,73-42-22-8-23-43-73)74-44-24-9-25-45-74)112-95(107)65-55-80(90-85(60-65)116-101(121-90,71-38-18-6-19-39-71)72-40-20-7-21-41-72)111-94(106)64-54-79(105)89-84(59-64)115-100(120-89,69-34-14-4-15-35-69)70-36-16-5-17-37-70;1-9(20)13-8-11(18-19-13)7-6-10-4-2-3-5-12(10)14(15,16)17;1-9(18)13(20)8-11(19)7-6-10-4-2-3-5-12(10)14(15,16)17;14-13(15,16)10-4-2-1-3-8(10)5-6-9-7-11(12(19)20)18-17-9;2*1-8(15)6-7-9-4-2-3-5-10(9)11(12,13)14;9-8(10,11)7-4-2-1-3-6(7)5-12;1-2-4-5-3-1;;;;1-2;;;;/h4-57,60-70H,58-59H2,1-3H3,(H,121,122);1-54,57-67H,55-56H2,(H,117,118)(H,119,120);4-63,105H,1-3H3;2-5,8H,6-7H2,1H3,(H,18,19);2-5,8,20H,6-7H2,1H3;1-4,7H,5-6H2,(H,17,18)(H,19,20);2-5H,6-7H2,1H3;2-7H,1H3;1-5H;1-4H2;3*1H4;1-2H2;;;2*1H2/q;;;;;;;;;;;;;;2*+1;;/p-2/b;;;;13-8-;;;7-6+;;;;;;;;;;
InChIKeySUIMKMFBWMCPDB-XZKGIPFJSA-L
MW7132.92 g/mol
LogP80.38
Rot. Bonds86

About disodium;7-[7-[7-[7-[2,2-diphenyl-7-[3-[2-[2-(trifluoromethyl)phenyl]ethyl]-1H-pyrazole-5-carbonyl]oxy-1,3-benzodioxole-5-carbonyl]oxy-2,2-diphenyl-1,3-benzodioxole-5-carbonyl]oxy-2,2-diphenyl-1,3-benzodioxole-5-carbonyl]oxy-2,2-diphenyl-1,3-benzodioxole-5-carbonyl]oxy-2,2-diphenyl-1,3-benzodioxole-5-carboxylic acid;hydrazine;(Z)-3-hydroxy-7-[2-(trifluoromethyl)phenyl]hept-3-ene-2,5-dione;methane;[6-[[6-[[6-[[6-[(2-methylpropan-2-yl)oxycarbonyl]-2,2-diphenyl-1,3-benzodioxol-4-yl]oxycarbonyl]-2,2-diphenyl-1,3-benzodioxol-4-yl]oxycarbonyl]-2,2-diphenyl-1,3-benzodioxol-4-yl]oxycarbonyl]-2,2-diphenyl-1,3-benzodioxol-4-yl] 7-hydroxy-2,2-diphenyl-1,3-benzodioxole-5-carboxylate;[6-[[6-[[6-[[6-[[6-[(2-methylpropan-2-yl)oxycarbonyl]-2,2-diphenyl-1,3-benzodioxol-4-yl]oxycarbonyl]-2,2-diphenyl-1,3-benzodioxol-4-yl]oxycarbonyl]-2,2-diphenyl-1,3-benzodioxol-4-yl]oxycarbonyl]-2,2-diphenyl-1,3-benzodioxol-4-yl]oxycarbonyl]-2,2-diphenyl-1,3-benzodioxol-4-yl] 3-[2-[2-(trifluoromethyl)phenyl]ethyl]-1H-pyrazole-5-carboxylate;oxolane;2-(trifluoromethyl)benzaldehyde;4-[2-(trifluoromethyl)phenyl]butan-2-one;(E)-4-[2-(trifluoromethyl)phenyl]but-3-en-2-one;5-[2-[2-(trifluoromethyl)phenyl]ethyl]-1H-pyrazole-3-carboxylic acid;1-[5-[2-[2-(trifluoromethyl)phenyl]ethyl]-1H-pyrazol-3-yl]ethanone;dihydroxide

disodium;7-[7-[7-[7-[2,2-diphenyl-7-[3-[2-[2-(trifluoromethyl)phenyl]ethyl]-1H-pyrazole-5-carbonyl]oxy-1,3-benzodioxole-5-carbonyl]oxy-2,2-diphenyl-1,3-benzodioxole-5-carbonyl]oxy-2,2-diphenyl-1,3-benzodioxole-5-carbonyl]oxy-2,2-diphenyl-1,3-benzodioxole-5-carbonyl]oxy-2,2-diphenyl-1,3-benzodioxole-5-carboxylic acid;hydrazine;(Z)-3-hydroxy-7-[2-(trifluoromethyl)phenyl]hept-3-ene-2,5-dione;methane;[6-[[6-[[6-[[6-[(2-methylpropan-2-yl)oxycarbonyl]-2,2-diphenyl-1,3-benzodioxol-4-yl]oxycarbonyl]-2,2-diphenyl-1,3-benzodioxol-4-yl]oxycarbonyl]-2,2-diphenyl-1,3-benzodioxol-4-yl]oxycarbonyl]-2,2-diphenyl-1,3-benzodioxol-4-yl] 7-hydroxy-2,2-diphenyl-1,3-benzodioxole-5-carboxylate;[6-[[6-[[6-[[6-[[6-[(2-methylpropan-2-yl)oxycarbonyl]-2,2-diphenyl-1,3-benzodioxol-4-yl]oxycarbonyl]-2,2-diphenyl-1,3-benzodioxol-4-yl]oxycarbonyl]-2,2-diphenyl-1,3-benzodioxol-4-yl]oxycarbonyl]-2,2-diphenyl-1,3-benzodioxol-4-yl]oxycarbonyl]-2,2-diphenyl-1,3-benzodioxol-4-yl] 3-[2-[2-(trifluoromethyl)phenyl]ethyl]-1H-pyrazole-5-carboxylate;oxolane;2-(trifluoromethyl)benzaldehyde;4-[2-(trifluoromethyl)phenyl]butan-2-one;(E)-4-[2-(trifluoromethyl)phenyl]but-3-en-2-one;5-[2-[2-(trifluoromethyl)phenyl]ethyl]-1H-pyrazole-3-carboxylic acid;1-[5-[2-[2-(trifluoromethyl)phenyl]ethyl]-1H-pyrazol-3-yl]ethanone;dihydroxide (PubChem CID 165071239) has the molecular formula C412H308F24N10Na2O77 and a molecular weight of 7132.92 g/mol. Its IUPAC name is disodium;7-[7-[7-[7-[2,2-diphenyl-7-[3-[2-[2-(trifluoromethyl)phenyl]ethyl]-1H-pyrazole-5-carbonyl]oxy-1,3-benzodioxole-5-carbonyl]oxy-2,2-diphenyl-1,3-benzodioxole-5-carbonyl]oxy-2,2-diphenyl-1,3-benzodioxole-5-carbonyl]oxy-2,2-diphenyl-1,3-benzodioxole-5-carbonyl]oxy-2,2-diphenyl-1,3-benzodioxole-5-carboxylic acid;hydrazine;(Z)-3-hydroxy-7-[2-(trifluoromethyl)phenyl]hept-3-ene-2,5-dione;methane;[6-[[6-[[6-[[6-[(2-methylpropan-2-yl)oxycarbonyl]-2,2-diphenyl-1,3-benzodioxol-4-yl]oxycarbonyl]-2,2-diphenyl-1,3-benzodioxol-4-yl]oxycarbonyl]-2,2-diphenyl-1,3-benzodioxol-4-yl]oxycarbonyl]-2,2-diphenyl-1,3-benzodioxol-4-yl] 7-hydroxy-2,2-diphenyl-1,3-benzodioxole-5-carboxylate;[6-[[6-[[6-[[6-[[6-[(2-methylpropan-2-yl)oxycarbonyl]-2,2-diphenyl-1,3-benzodioxol-4-yl]oxycarbonyl]-2,2-diphenyl-1,3-benzodioxol-4-yl]oxycarbonyl]-2,2-diphenyl-1,3-benzodioxol-4-yl]oxycarbonyl]-2,2-diphenyl-1,3-benzodioxol-4-yl]oxycarbonyl]-2,2-diphenyl-1,3-benzodioxol-4-yl] 3-[2-[2-(trifluoromethyl)phenyl]ethyl]-1H-pyrazole-5-carboxylate;oxolane;2-(trifluoromethyl)benzaldehyde;4-[2-(trifluoromethyl)phenyl]butan-2-one;(E)-4-[2-(trifluoromethyl)phenyl]but-3-en-2-one;5-[2-[2-(trifluoromethyl)phenyl]ethyl]-1H-pyrazole-3-carboxylic acid;1-[5-[2-[2-(trifluoromethyl)phenyl]ethyl]-1H-pyrazol-3-yl]ethanone;dihydroxide.

Molecular Properties

Compound Namedisodium;7-[7-[7-[7-[2,2-diphenyl-7-[3-[2-[2-(trifluoromethyl)phenyl]ethyl]-1H-pyrazole-5-carbonyl]oxy-1,3-benzodioxole-5-carbonyl]oxy-2,2-diphenyl-1,3-benzodioxole-5-carbonyl]oxy-2,2-diphenyl-1,3-benzodioxole-5-carbonyl]oxy-2,2-diphenyl-1,3-benzodioxole-5-carbonyl]oxy-2,2-diphenyl-1,3-benzodioxole-5-carboxylic acid;hydrazine;(Z)-3-hydroxy-7-[2-(trifluoromethyl)phenyl]hept-3-ene-2,5-dione;methane;[6-[[6-[[6-[[6-[(2-methylpropan-2-yl)oxycarbonyl]-2,2-diphenyl-1,3-benzodioxol-4-yl]oxycarbonyl]-2,2-diphenyl-1,3-benzodioxol-4-yl]oxycarbonyl]-2,2-diphenyl-1,3-benzodioxol-4-yl]oxycarbonyl]-2,2-diphenyl-1,3-benzodioxol-4-yl] 7-hydroxy-2,2-diphenyl-1,3-benzodioxole-5-carboxylate;[6-[[6-[[6-[[6-[[6-[(2-methylpropan-2-yl)oxycarbonyl]-2,2-diphenyl-1,3-benzodioxol-4-yl]oxycarbonyl]-2,2-diphenyl-1,3-benzodioxol-4-yl]oxycarbonyl]-2,2-diphenyl-1,3-benzodioxol-4-yl]oxycarbonyl]-2,2-diphenyl-1,3-benzodioxol-4-yl]oxycarbonyl]-2,2-diphenyl-1,3-benzodioxol-4-yl] 3-[2-[2-(trifluoromethyl)phenyl]ethyl]-1H-pyrazole-5-carboxylate;oxolane;2-(trifluoromethyl)benzaldehyde;4-[2-(trifluoromethyl)phenyl]butan-2-one;(E)-4-[2-(trifluoromethyl)phenyl]but-3-en-2-one;5-[2-[2-(trifluoromethyl)phenyl]ethyl]-1H-pyrazole-3-carboxylic acid;1-[5-[2-[2-(trifluoromethyl)phenyl]ethyl]-1H-pyrazol-3-yl]ethanone;dihydroxide
PubChem CID165071239
Molecular FormulaC412H308F24N10Na2O77
Molecular Weight7132.92 g/mol
Exact Mass7127.99
IUPAC Namedisodium;7-[7-[7-[7-[2,2-diphenyl-7-[3-[2-[2-(trifluoromethyl)phenyl]ethyl]-1H-pyrazole-5-carbonyl]oxy-1,3-benzodioxole-5-carbonyl]oxy-2,2-diphenyl-1,3-benzodioxole-5-carbonyl]oxy-2,2-diphenyl-1,3-benzodioxole-5-carbonyl]oxy-2,2-diphenyl-1,3-benzodioxole-5-carbonyl]oxy-2,2-diphenyl-1,3-benzodioxole-5-carboxylic acid;hydrazine;(Z)-3-hydroxy-7-[2-(trifluoromethyl)phenyl]hept-3-ene-2,5-dione;methane;[6-[[6-[[6-[[6-[(2-methylpropan-2-yl)oxycarbonyl]-2,2-diphenyl-1,3-benzodioxol-4-yl]oxycarbonyl]-2,2-diphenyl-1,3-benzodioxol-4-yl]oxycarbonyl]-2,2-diphenyl-1,3-benzodioxol-4-yl]oxycarbonyl]-2,2-diphenyl-1,3-benzodioxol-4-yl] 7-hydroxy-2,2-diphenyl-1,3-benzodioxole-5-carboxylate;[6-[[6-[[6-[[6-[[6-[(2-methylpropan-2-yl)oxycarbonyl]-2,2-diphenyl-1,3-benzodioxol-4-yl]oxycarbonyl]-2,2-diphenyl-1,3-benzodioxol-4-yl]oxycarbonyl]-2,2-diphenyl-1,3-benzodioxol-4-yl]oxycarbonyl]-2,2-diphenyl-1,3-benzodioxol-4-yl]oxycarbonyl]-2,2-diphenyl-1,3-benzodioxol-4-yl] 3-[2-[2-(trifluoromethyl)phenyl]ethyl]-1H-pyrazole-5-carboxylate;oxolane;2-(trifluoromethyl)benzaldehyde;4-[2-(trifluoromethyl)phenyl]butan-2-one;(E)-4-[2-(trifluoromethyl)phenyl]but-3-en-2-one;5-[2-[2-(trifluoromethyl)phenyl]ethyl]-1H-pyrazole-3-carboxylic acid;1-[5-[2-[2-(trifluoromethyl)phenyl]ethyl]-1H-pyrazol-3-yl]ethanone;dihydroxide
SMILESC.C.C.C1CCOC1.CC(=O)/C(O)=C/C(=O)CCc1ccccc1C(F)(F)F.CC(=O)/C=C/c1ccccc1C(F)(F)F.CC(=O)CCc1ccccc1C(F)(F)F.CC(=O)c1cc(CCc2ccccc2C(F)(F)F)[nH]n1.CC(C)(C)OC(=O)c1cc(OC(=O)c2cc(OC(=O)c3cc(OC(=O)c4cc(OC(=O)c5cc(O)c6c(c5)OC(c5ccccc5)(c5ccccc5)O6)c5c(c4)OC(c4ccccc4)(c4ccccc4)O5)c4c(c3)OC(c3ccccc3)(c3ccccc3)O4)c3c(c2)OC(c2ccccc2)(c2ccccc2)O3)c2c(c1)OC(c1ccccc1)(c1ccccc1)O2.CC(C)(C)OC(=O)c1cc(OC(=O)c2cc(OC(=O)c3cc(OC(=O)c4cc(OC(=O)c5cc(OC(=O)c6cc(CCc7ccccc7C(F)(F)F)n[nH]6)c6c(c5)OC(c5ccccc5)(c5ccccc5)O6)c5c(c4)OC(c4ccccc4)(c4ccccc4)O5)c4c(c3)OC(c3ccccc3)(c3ccccc3)O4)c3c(c2)OC(c2ccccc2)(c2ccccc2)O3)c2c(c1)OC(c1ccccc1)(c1ccccc1)O2.NN.O=C(O)c1cc(CCc2ccccc2C(F)(F)F)[nH]n1.O=C(O)c1cc(OC(=O)c2cc(OC(=O)c3cc(OC(=O)c4cc(OC(=O)c5cc(OC(=O)c6cc(CCc7ccccc7C(F)(F)F)n[nH]6)c6c(c5)OC(c5ccccc5)(c5ccccc5)O6)c5c(c4)OC(c4ccccc4)(c4ccccc4)O5)c4c(c3)OC(c3ccccc3)(c3ccccc3)O4)c3c(c2)OC(c2ccccc2)(c2ccccc2)O3)c2c(c1)OC(c1ccccc1)(c1ccccc1)O2.O=Cc1ccccc1C(F)(F)F.[Na+].[Na+].[OH-].[OH-]
InChIInChI=1S/C117H79F3N2O22.C113H71F3N2O22.C104H70O21.C14H13F3N2O.C14H13F3O3.C13H11F3N2O2.C11H11F3O.C11H9F3O.C8H5F3O.C4H8O.3CH4.H4N2.2Na.2H2O/c1-111(2,3)144-109(127)76-64-93(103-99(69-76)138-116(142-103,85-53-30-12-31-54-85)86-55-32-13-33-56-86)132-107(125)74-62-91(101-97(67-74)136-114(140-101,81-45-22-8-23-46-81)82-47-24-9-25-48-82)130-105(123)72-60-90(100-95(65-72)134-112(139-100,77-37-14-4-15-38-77)78-39-16-5-17-40-78)129-106(124)73-61-92(102-96(66-73)135-113(141-102,79-41-18-6-19-42-79)80-43-20-7-21-44-80)131-108(126)75-63-94(104-98(68-75)137-115(143-104,83-49-26-10-27-50-83)84-51-28-11-29-52-84)133-110(128)89-70-87(121-122-89)59-58-71-36-34-35-57-88(71)117(118,119)120;114-113(115,116)85-54-32-31-33-68(85)55-56-84-67-86(118-117-84)107(125)130-91-62-73(66-96-101(91)140-112(135-96,82-50-27-9-28-51-82)83-52-29-10-30-53-83)106(124)129-90-61-72(65-95-100(90)139-111(134-95,80-46-23-7-24-47-80)81-48-25-8-26-49-81)105(123)128-89-60-71(64-94-99(89)138-110(133-94,78-42-19-5-20-43-78)79-44-21-6-22-45-79)104(122)127-88-59-70(63-93-98(88)137-109(132-93,76-38-15-3-16-39-76)77-40-17-4-18-41-77)103(121)126-87-57-69(102(119)120)58-92-97(87)136-108(131-92,74-34-11-1-12-35-74)75-36-13-2-14-37-75;1-99(2,3)125-98(110)68-58-83(93-88(63-68)119-104(124-93,77-50-30-12-31-51-77)78-52-32-13-33-53-78)114-97(109)67-57-82(92-87(62-67)118-103(123-92,75-46-26-10-27-47-75)76-48-28-11-29-49-76)113-96(108)66-56-81(91-86(61-66)117-102(122-91,73-42-22-8-23-43-73)74-44-24-9-25-45-74)112-95(107)65-55-80(90-85(60-65)116-101(121-90,71-38-18-6-19-39-71)72-40-20-7-21-41-72)111-94(106)64-54-79(105)89-84(59-64)115-100(120-89,69-34-14-4-15-35-69)70-36-16-5-17-37-70;1-9(20)13-8-11(18-19-13)7-6-10-4-2-3-5-12(10)14(15,16)17;1-9(18)13(20)8-11(19)7-6-10-4-2-3-5-12(10)14(15,16)17;14-13(15,16)10-4-2-1-3-8(10)5-6-9-7-11(12(19)20)18-17-9;2*1-8(15)6-7-9-4-2-3-5-10(9)11(12,13)14;9-8(10,11)7-4-2-1-3-6(7)5-12;1-2-4-5-3-1;;;;1-2;;;;/h4-57,60-70H,58-59H2,1-3H3,(H,121,122);1-54,57-67H,55-56H2,(H,117,118)(H,119,120);4-63,105H,1-3H3;2-5,8H,6-7H2,1H3,(H,18,19);2-5,8,20H,6-7H2,1H3;1-4,7H,5-6H2,(H,17,18)(H,19,20);2-5H,6-7H2,1H3;2-7H,1H3;1-5H;1-4H2;3*1H4;1-2H2;;;2*1H2/q;;;;;;;;;;;;;;2*+1;;/p-2/b;;;;13-8-;;;7-6+;;;;;;;;;;
InChIKeySUIMKMFBWMCPDB-XZKGIPFJSA-L
XLogP80.38
TPSA1151.17 Ų
H-Bond Donors10
H-Bond Acceptors81
Rotatable Bonds86
Heavy Atoms525
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5007132.92
LogP ≤ 580.38
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1081

Analyze disodium;7-[7-[7-[7-[2,2-diphenyl-7-[3-[2-[2-(trifluoromethyl)phenyl]ethyl]-1H-pyrazole-5-carbonyl]oxy-1,3-benzodioxole-5-carbonyl]oxy-2,2-diphenyl-1,3-benzodioxole-5-carbonyl]oxy-2,2-diphenyl-1,3-benzodioxole-5-carbonyl]oxy-2,2-diphenyl-1,3-benzodioxole-5-carbonyl]oxy-2,2-diphenyl-1,3-benzodioxole-5-carboxylic acid;hydrazine;(Z)-3-hydroxy-7-[2-(trifluoromethyl)phenyl]hept-3-ene-2,5-dione;methane;[6-[[6-[[6-[[6-[(2-methylpropan-2-yl)oxycarbonyl]-2,2-diphenyl-1,3-benzodioxol-4-yl]oxycarbonyl]-2,2-diphenyl-1,3-benzodioxol-4-yl]oxycarbonyl]-2,2-diphenyl-1,3-benzodioxol-4-yl]oxycarbonyl]-2,2-diphenyl-1,3-benzodioxol-4-yl] 7-hydroxy-2,2-diphenyl-1,3-benzodioxole-5-carboxylate;[6-[[6-[[6-[[6-[[6-[(2-methylpropan-2-yl)oxycarbonyl]-2,2-diphenyl-1,3-benzodioxol-4-yl]oxycarbonyl]-2,2-diphenyl-1,3-benzodioxol-4-yl]oxycarbonyl]-2,2-diphenyl-1,3-benzodioxol-4-yl]oxycarbonyl]-2,2-diphenyl-1,3-benzodioxol-4-yl]oxycarbonyl]-2,2-diphenyl-1,3-benzodioxol-4-yl] 3-[2-[2-(trifluoromethyl)phenyl]ethyl]-1H-pyrazole-5-carboxylate;oxolane;2-(trifluoromethyl)benzaldehyde;4-[2-(trifluoromethyl)phenyl]butan-2-one;(E)-4-[2-(trifluoromethyl)phenyl]but-3-en-2-one;5-[2-[2-(trifluoromethyl)phenyl]ethyl]-1H-pyrazole-3-carboxylic acid;1-[5-[2-[2-(trifluoromethyl)phenyl]ethyl]-1H-pyrazol-3-yl]ethanone;dihydroxide with MolForge

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Frequently Asked Questions

What is the IUPAC name of disodium;7-[7-[7-[7-[2,2-diphenyl-7-[3-[2-[2-(trifluoromethyl)phenyl]ethyl]-1H-pyrazole-5-carbonyl]oxy-1,3-benzodioxole-5-carbonyl]oxy-2,2-diphenyl-1,3-benzodioxole-5-carbonyl]oxy-2,2-diphenyl-1,3-benzodioxole-5-carbonyl]oxy-2,2-diphenyl-1,3-benzodioxole-5-carbonyl]oxy-2,2-diphenyl-1,3-benzodioxole-5-carboxylic acid;hydrazine;(Z)-3-hydroxy-7-[2-(trifluoromethyl)phenyl]hept-3-ene-2,5-dione;methane;[6-[[6-[[6-[[6-[(2-methylpropan-2-yl)oxycarbonyl]-2,2-diphenyl-1,3-benzodioxol-4-yl]oxycarbonyl]-2,2-diphenyl-1,3-benzodioxol-4-yl]oxycarbonyl]-2,2-diphenyl-1,3-benzodioxol-4-yl]oxycarbonyl]-2,2-diphenyl-1,3-benzodioxol-4-yl] 7-hydroxy-2,2-diphenyl-1,3-benzodioxole-5-carboxylate;[6-[[6-[[6-[[6-[[6-[(2-methylpropan-2-yl)oxycarbonyl]-2,2-diphenyl-1,3-benzodioxol-4-yl]oxycarbonyl]-2,2-diphenyl-1,3-benzodioxol-4-yl]oxycarbonyl]-2,2-diphenyl-1,3-benzodioxol-4-yl]oxycarbonyl]-2,2-diphenyl-1,3-benzodioxol-4-yl]oxycarbonyl]-2,2-diphenyl-1,3-benzodioxol-4-yl] 3-[2-[2-(trifluoromethyl)phenyl]ethyl]-1H-pyrazole-5-carboxylate;oxolane;2-(trifluoromethyl)benzaldehyde;4-[2-(trifluoromethyl)phenyl]butan-2-one;(E)-4-[2-(trifluoromethyl)phenyl]but-3-en-2-one;5-[2-[2-(trifluoromethyl)phenyl]ethyl]-1H-pyrazole-3-carboxylic acid;1-[5-[2-[2-(trifluoromethyl)phenyl]ethyl]-1H-pyrazol-3-yl]ethanone;dihydroxide?
The IUPAC name of disodium;7-[7-[7-[7-[2,2-diphenyl-7-[3-[2-[2-(trifluoromethyl)phenyl]ethyl]-1H-pyrazole-5-carbonyl]oxy-1,3-benzodioxole-5-carbonyl]oxy-2,2-diphenyl-1,3-benzodioxole-5-carbonyl]oxy-2,2-diphenyl-1,3-benzodioxole-5-carbonyl]oxy-2,2-diphenyl-1,3-benzodioxole-5-carbonyl]oxy-2,2-diphenyl-1,3-benzodioxole-5-carboxylic acid;hydrazine;(Z)-3-hydroxy-7-[2-(trifluoromethyl)phenyl]hept-3-ene-2,5-dione;methane;[6-[[6-[[6-[[6-[(2-methylpropan-2-yl)oxycarbonyl]-2,2-diphenyl-1,3-benzodioxol-4-yl]oxycarbonyl]-2,2-diphenyl-1,3-benzodioxol-4-yl]oxycarbonyl]-2,2-diphenyl-1,3-benzodioxol-4-yl]oxycarbonyl]-2,2-diphenyl-1,3-benzodioxol-4-yl] 7-hydroxy-2,2-diphenyl-1,3-benzodioxole-5-carboxylate;[6-[[6-[[6-[[6-[[6-[(2-methylpropan-2-yl)oxycarbonyl]-2,2-diphenyl-1,3-benzodioxol-4-yl]oxycarbonyl]-2,2-diphenyl-1,3-benzodioxol-4-yl]oxycarbonyl]-2,2-diphenyl-1,3-benzodioxol-4-yl]oxycarbonyl]-2,2-diphenyl-1,3-benzodioxol-4-yl]oxycarbonyl]-2,2-diphenyl-1,3-benzodioxol-4-yl] 3-[2-[2-(trifluoromethyl)phenyl]ethyl]-1H-pyrazole-5-carboxylate;oxolane;2-(trifluoromethyl)benzaldehyde;4-[2-(trifluoromethyl)phenyl]butan-2-one;(E)-4-[2-(trifluoromethyl)phenyl]but-3-en-2-one;5-[2-[2-(trifluoromethyl)phenyl]ethyl]-1H-pyrazole-3-carboxylic acid;1-[5-[2-[2-(trifluoromethyl)phenyl]ethyl]-1H-pyrazol-3-yl]ethanone;dihydroxide (CID 165071239) is disodium;7-[7-[7-[7-[2,2-diphenyl-7-[3-[2-[2-(trifluoromethyl)phenyl]ethyl]-1H-pyrazole-5-carbonyl]oxy-1,3-benzodioxole-5-carbonyl]oxy-2,2-diphenyl-1,3-benzodioxole-5-carbonyl]oxy-2,2-diphenyl-1,3-benzodioxole-5-carbonyl]oxy-2,2-diphenyl-1,3-benzodioxole-5-carbonyl]oxy-2,2-diphenyl-1,3-benzodioxole-5-carboxylic acid;hydrazine;(Z)-3-hydroxy-7-[2-(trifluoromethyl)phenyl]hept-3-ene-2,5-dione;methane;[6-[[6-[[6-[[6-[(2-methylpropan-2-yl)oxycarbonyl]-2,2-diphenyl-1,3-benzodioxol-4-yl]oxycarbonyl]-2,2-diphenyl-1,3-benzodioxol-4-yl]oxycarbonyl]-2,2-diphenyl-1,3-benzodioxol-4-yl]oxycarbonyl]-2,2-diphenyl-1,3-benzodioxol-4-yl] 7-hydroxy-2,2-diphenyl-1,3-benzodioxole-5-carboxylate;[6-[[6-[[6-[[6-[[6-[(2-methylpropan-2-yl)oxycarbonyl]-2,2-diphenyl-1,3-benzodioxol-4-yl]oxycarbonyl]-2,2-diphenyl-1,3-benzodioxol-4-yl]oxycarbonyl]-2,2-diphenyl-1,3-benzodioxol-4-yl]oxycarbonyl]-2,2-diphenyl-1,3-benzodioxol-4-yl]oxycarbonyl]-2,2-diphenyl-1,3-benzodioxol-4-yl] 3-[2-[2-(trifluoromethyl)phenyl]ethyl]-1H-pyrazole-5-carboxylate;oxolane;2-(trifluoromethyl)benzaldehyde;4-[2-(trifluoromethyl)phenyl]butan-2-one;(E)-4-[2-(trifluoromethyl)phenyl]but-3-en-2-one;5-[2-[2-(trifluoromethyl)phenyl]ethyl]-1H-pyrazole-3-carboxylic acid;1-[5-[2-[2-(trifluoromethyl)phenyl]ethyl]-1H-pyrazol-3-yl]ethanone;dihydroxide.
What is the SMILES notation for disodium;7-[7-[7-[7-[2,2-diphenyl-7-[3-[2-[2-(trifluoromethyl)phenyl]ethyl]-1H-pyrazole-5-carbonyl]oxy-1,3-benzodioxole-5-carbonyl]oxy-2,2-diphenyl-1,3-benzodioxole-5-carbonyl]oxy-2,2-diphenyl-1,3-benzodioxole-5-carbonyl]oxy-2,2-diphenyl-1,3-benzodioxole-5-carbonyl]oxy-2,2-diphenyl-1,3-benzodioxole-5-carboxylic acid;hydrazine;(Z)-3-hydroxy-7-[2-(trifluoromethyl)phenyl]hept-3-ene-2,5-dione;methane;[6-[[6-[[6-[[6-[(2-methylpropan-2-yl)oxycarbonyl]-2,2-diphenyl-1,3-benzodioxol-4-yl]oxycarbonyl]-2,2-diphenyl-1,3-benzodioxol-4-yl]oxycarbonyl]-2,2-diphenyl-1,3-benzodioxol-4-yl]oxycarbonyl]-2,2-diphenyl-1,3-benzodioxol-4-yl] 7-hydroxy-2,2-diphenyl-1,3-benzodioxole-5-carboxylate;[6-[[6-[[6-[[6-[[6-[(2-methylpropan-2-yl)oxycarbonyl]-2,2-diphenyl-1,3-benzodioxol-4-yl]oxycarbonyl]-2,2-diphenyl-1,3-benzodioxol-4-yl]oxycarbonyl]-2,2-diphenyl-1,3-benzodioxol-4-yl]oxycarbonyl]-2,2-diphenyl-1,3-benzodioxol-4-yl]oxycarbonyl]-2,2-diphenyl-1,3-benzodioxol-4-yl] 3-[2-[2-(trifluoromethyl)phenyl]ethyl]-1H-pyrazole-5-carboxylate;oxolane;2-(trifluoromethyl)benzaldehyde;4-[2-(trifluoromethyl)phenyl]butan-2-one;(E)-4-[2-(trifluoromethyl)phenyl]but-3-en-2-one;5-[2-[2-(trifluoromethyl)phenyl]ethyl]-1H-pyrazole-3-carboxylic acid;1-[5-[2-[2-(trifluoromethyl)phenyl]ethyl]-1H-pyrazol-3-yl]ethanone;dihydroxide?
The canonical SMILES for disodium;7-[7-[7-[7-[2,2-diphenyl-7-[3-[2-[2-(trifluoromethyl)phenyl]ethyl]-1H-pyrazole-5-carbonyl]oxy-1,3-benzodioxole-5-carbonyl]oxy-2,2-diphenyl-1,3-benzodioxole-5-carbonyl]oxy-2,2-diphenyl-1,3-benzodioxole-5-carbonyl]oxy-2,2-diphenyl-1,3-benzodioxole-5-carbonyl]oxy-2,2-diphenyl-1,3-benzodioxole-5-carboxylic acid;hydrazine;(Z)-3-hydroxy-7-[2-(trifluoromethyl)phenyl]hept-3-ene-2,5-dione;methane;[6-[[6-[[6-[[6-[(2-methylpropan-2-yl)oxycarbonyl]-2,2-diphenyl-1,3-benzodioxol-4-yl]oxycarbonyl]-2,2-diphenyl-1,3-benzodioxol-4-yl]oxycarbonyl]-2,2-diphenyl-1,3-benzodioxol-4-yl]oxycarbonyl]-2,2-diphenyl-1,3-benzodioxol-4-yl] 7-hydroxy-2,2-diphenyl-1,3-benzodioxole-5-carboxylate;[6-[[6-[[6-[[6-[[6-[(2-methylpropan-2-yl)oxycarbonyl]-2,2-diphenyl-1,3-benzodioxol-4-yl]oxycarbonyl]-2,2-diphenyl-1,3-benzodioxol-4-yl]oxycarbonyl]-2,2-diphenyl-1,3-benzodioxol-4-yl]oxycarbonyl]-2,2-diphenyl-1,3-benzodioxol-4-yl]oxycarbonyl]-2,2-diphenyl-1,3-benzodioxol-4-yl] 3-[2-[2-(trifluoromethyl)phenyl]ethyl]-1H-pyrazole-5-carboxylate;oxolane;2-(trifluoromethyl)benzaldehyde;4-[2-(trifluoromethyl)phenyl]butan-2-one;(E)-4-[2-(trifluoromethyl)phenyl]but-3-en-2-one;5-[2-[2-(trifluoromethyl)phenyl]ethyl]-1H-pyrazole-3-carboxylic acid;1-[5-[2-[2-(trifluoromethyl)phenyl]ethyl]-1H-pyrazol-3-yl]ethanone;dihydroxide is C.C.C.C1CCOC1.CC(=O)/C(O)=C/C(=O)CCc1ccccc1C(F)(F)F.CC(=O)/C=C/c1ccccc1C(F)(F)F.CC(=O)CCc1ccccc1C(F)(F)F.CC(=O)c1cc(CCc2ccccc2C(F)(F)F)[nH]n1.CC(C)(C)OC(=O)c1cc(OC(=O)c2cc(OC(=O)c3cc(OC(=O)c4cc(OC(=O)c5cc(O)c6c(c5)OC(c5ccccc5)(c5ccccc5)O6)c5c(c4)OC(c4ccccc4)(c4ccccc4)O5)c4c(c3)OC(c3ccccc3)(c3ccccc3)O4)c3c(c2)OC(c2ccccc2)(c2ccccc2)O3)c2c(c1)OC(c1ccccc1)(c1ccccc1)O2.CC(C)(C)OC(=O)c1cc(OC(=O)c2cc(OC(=O)c3cc(OC(=O)c4cc(OC(=O)c5cc(OC(=O)c6cc(CCc7ccccc7C(F)(F)F)n[nH]6)c6c(c5)OC(c5ccccc5)(c5ccccc5)O6)c5c(c4)OC(c4ccccc4)(c4ccccc4)O5)c4c(c3)OC(c3ccccc3)(c3ccccc3)O4)c3c(c2)OC(c2ccccc2)(c2ccccc2)O3)c2c(c1)OC(c1ccccc1)(c1ccccc1)O2.NN.O=C(O)c1cc(CCc2ccccc2C(F)(F)F)[nH]n1.O=C(O)c1cc(OC(=O)c2cc(OC(=O)c3cc(OC(=O)c4cc(OC(=O)c5cc(OC(=O)c6cc(CCc7ccccc7C(F)(F)F)n[nH]6)c6c(c5)OC(c5ccccc5)(c5ccccc5)O6)c5c(c4)OC(c4ccccc4)(c4ccccc4)O5)c4c(c3)OC(c3ccccc3)(c3ccccc3)O4)c3c(c2)OC(c2ccccc2)(c2ccccc2)O3)c2c(c1)OC(c1ccccc1)(c1ccccc1)O2.O=Cc1ccccc1C(F)(F)F.[Na+].[Na+].[OH-].[OH-].
What is the InChIKey of disodium;7-[7-[7-[7-[2,2-diphenyl-7-[3-[2-[2-(trifluoromethyl)phenyl]ethyl]-1H-pyrazole-5-carbonyl]oxy-1,3-benzodioxole-5-carbonyl]oxy-2,2-diphenyl-1,3-benzodioxole-5-carbonyl]oxy-2,2-diphenyl-1,3-benzodioxole-5-carbonyl]oxy-2,2-diphenyl-1,3-benzodioxole-5-carbonyl]oxy-2,2-diphenyl-1,3-benzodioxole-5-carboxylic acid;hydrazine;(Z)-3-hydroxy-7-[2-(trifluoromethyl)phenyl]hept-3-ene-2,5-dione;methane;[6-[[6-[[6-[[6-[(2-methylpropan-2-yl)oxycarbonyl]-2,2-diphenyl-1,3-benzodioxol-4-yl]oxycarbonyl]-2,2-diphenyl-1,3-benzodioxol-4-yl]oxycarbonyl]-2,2-diphenyl-1,3-benzodioxol-4-yl]oxycarbonyl]-2,2-diphenyl-1,3-benzodioxol-4-yl] 7-hydroxy-2,2-diphenyl-1,3-benzodioxole-5-carboxylate;[6-[[6-[[6-[[6-[[6-[(2-methylpropan-2-yl)oxycarbonyl]-2,2-diphenyl-1,3-benzodioxol-4-yl]oxycarbonyl]-2,2-diphenyl-1,3-benzodioxol-4-yl]oxycarbonyl]-2,2-diphenyl-1,3-benzodioxol-4-yl]oxycarbonyl]-2,2-diphenyl-1,3-benzodioxol-4-yl]oxycarbonyl]-2,2-diphenyl-1,3-benzodioxol-4-yl] 3-[2-[2-(trifluoromethyl)phenyl]ethyl]-1H-pyrazole-5-carboxylate;oxolane;2-(trifluoromethyl)benzaldehyde;4-[2-(trifluoromethyl)phenyl]butan-2-one;(E)-4-[2-(trifluoromethyl)phenyl]but-3-en-2-one;5-[2-[2-(trifluoromethyl)phenyl]ethyl]-1H-pyrazole-3-carboxylic acid;1-[5-[2-[2-(trifluoromethyl)phenyl]ethyl]-1H-pyrazol-3-yl]ethanone;dihydroxide?
The InChIKey is SUIMKMFBWMCPDB-XZKGIPFJSA-L. The full InChI is InChI=1S/C117H79F3N2O22.C113H71F3N2O22.C104H70O21.C14H13F3N2O.C14H13F3O3.C13H11F3N2O2.C11H11F3O.C11H9F3O.C8H5F3O.C4H8O.3CH4.H4N2.2Na.2H2O/c1-111(2,3)144-109(127)76-64-93(103-99(69-76)138-116(142-103,85-53-30-12-31-54-85)86-55-32-13-33-56-86)132-107(125)74-62-91(101-97(67-74)136-114(140-101,81-45-22-8-23-46-81)82-47-24-9-25-48-82)130-105(123)72-60-90(100-95(65-72)134-112(139-100,77-37-14-4-15-38-77)78-39-16-5-17-40-78)129-106(124)73-61-92(102-96(66-73)135-113(141-102,79-41-18-6-19-42-79)80-43-20-7-21-44-80)131-108(126)75-63-94(104-98(68-75)137-115(143-104,83-49-26-10-27-50-83)84-51-28-11-29-52-84)133-110(128)89-70-87(121-122-89)59-58-71-36-34-35-57-88(71)117(118,119)120;114-113(115,116)85-54-32-31-33-68(85)55-56-84-67-86(118-117-84)107(125)130-91-62-73(66-96-101(91)140-112(135-96,82-50-27-9-28-51-82)83-52-29-10-30-53-83)106(124)129-90-61-72(65-95-100(90)139-111(134-95,80-46-23-7-24-47-80)81-48-25-8-26-49-81)105(123)128-89-60-71(64-94-99(89)138-110(133-94,78-42-19-5-20-43-78)79-44-21-6-22-45-79)104(122)127-88-59-70(63-93-98(88)137-109(132-93,76-38-15-3-16-39-76)77-40-17-4-18-41-77)103(121)126-87-57-69(102(119)120)58-92-97(87)136-108(131-92,74-34-11-1-12-35-74)75-36-13-2-14-37-75;1-99(2,3)125-98(110)68-58-83(93-88(63-68)119-104(124-93,77-50-30-12-31-51-77)78-52-32-13-33-53-78)114-97(109)67-57-82(92-87(62-67)118-103(123-92,75-46-26-10-27-47-75)76-48-28-11-29-49-76)113-96(108)66-56-81(91-86(61-66)117-102(122-91,73-42-22-8-23-43-73)74-44-24-9-25-45-74)112-95(107)65-55-80(90-85(60-65)116-101(121-90,71-38-18-6-19-39-71)72-40-20-7-21-41-72)111-94(106)64-54-79(105)89-84(59-64)115-100(120-89,69-34-14-4-15-35-69)70-36-16-5-17-37-70;1-9(20)13-8-11(18-19-13)7-6-10-4-2-3-5-12(10)14(15,16)17;1-9(18)13(20)8-11(19)7-6-10-4-2-3-5-12(10)14(15,16)17;14-13(15,16)10-4-2-1-3-8(10)5-6-9-7-11(12(19)20)18-17-9;2*1-8(15)6-7-9-4-2-3-5-10(9)11(12,13)14;9-8(10,11)7-4-2-1-3-6(7)5-12;1-2-4-5-3-1;;;;1-2;;;;/h4-57,60-70H,58-59H2,1-3H3,(H,121,122);1-54,57-67H,55-56H2,(H,117,118)(H,119,120);4-63,105H,1-3H3;2-5,8H,6-7H2,1H3,(H,18,19);2-5,8,20H,6-7H2,1H3;1-4,7H,5-6H2,(H,17,18)(H,19,20);2-5H,6-7H2,1H3;2-7H,1H3;1-5H;1-4H2;3*1H4;1-2H2;;;2*1H2/q;;;;;;;;;;;;;;2*+1;;/p-2/b;;;;13-8-;;;7-6+;;;;;;;;;;.
What are the key properties of disodium;7-[7-[7-[7-[2,2-diphenyl-7-[3-[2-[2-(trifluoromethyl)phenyl]ethyl]-1H-pyrazole-5-carbonyl]oxy-1,3-benzodioxole-5-carbonyl]oxy-2,2-diphenyl-1,3-benzodioxole-5-carbonyl]oxy-2,2-diphenyl-1,3-benzodioxole-5-carbonyl]oxy-2,2-diphenyl-1,3-benzodioxole-5-carbonyl]oxy-2,2-diphenyl-1,3-benzodioxole-5-carboxylic acid;hydrazine;(Z)-3-hydroxy-7-[2-(trifluoromethyl)phenyl]hept-3-ene-2,5-dione;methane;[6-[[6-[[6-[[6-[(2-methylpropan-2-yl)oxycarbonyl]-2,2-diphenyl-1,3-benzodioxol-4-yl]oxycarbonyl]-2,2-diphenyl-1,3-benzodioxol-4-yl]oxycarbonyl]-2,2-diphenyl-1,3-benzodioxol-4-yl]oxycarbonyl]-2,2-diphenyl-1,3-benzodioxol-4-yl] 7-hydroxy-2,2-diphenyl-1,3-benzodioxole-5-carboxylate;[6-[[6-[[6-[[6-[[6-[(2-methylpropan-2-yl)oxycarbonyl]-2,2-diphenyl-1,3-benzodioxol-4-yl]oxycarbonyl]-2,2-diphenyl-1,3-benzodioxol-4-yl]oxycarbonyl]-2,2-diphenyl-1,3-benzodioxol-4-yl]oxycarbonyl]-2,2-diphenyl-1,3-benzodioxol-4-yl]oxycarbonyl]-2,2-diphenyl-1,3-benzodioxol-4-yl] 3-[2-[2-(trifluoromethyl)phenyl]ethyl]-1H-pyrazole-5-carboxylate;oxolane;2-(trifluoromethyl)benzaldehyde;4-[2-(trifluoromethyl)phenyl]butan-2-one;(E)-4-[2-(trifluoromethyl)phenyl]but-3-en-2-one;5-[2-[2-(trifluoromethyl)phenyl]ethyl]-1H-pyrazole-3-carboxylic acid;1-[5-[2-[2-(trifluoromethyl)phenyl]ethyl]-1H-pyrazol-3-yl]ethanone;dihydroxide?
disodium;7-[7-[7-[7-[2,2-diphenyl-7-[3-[2-[2-(trifluoromethyl)phenyl]ethyl]-1H-pyrazole-5-carbonyl]oxy-1,3-benzodioxole-5-carbonyl]oxy-2,2-diphenyl-1,3-benzodioxole-5-carbonyl]oxy-2,2-diphenyl-1,3-benzodioxole-5-carbonyl]oxy-2,2-diphenyl-1,3-benzodioxole-5-carbonyl]oxy-2,2-diphenyl-1,3-benzodioxole-5-carboxylic acid;hydrazine;(Z)-3-hydroxy-7-[2-(trifluoromethyl)phenyl]hept-3-ene-2,5-dione;methane;[6-[[6-[[6-[[6-[(2-methylpropan-2-yl)oxycarbonyl]-2,2-diphenyl-1,3-benzodioxol-4-yl]oxycarbonyl]-2,2-diphenyl-1,3-benzodioxol-4-yl]oxycarbonyl]-2,2-diphenyl-1,3-benzodioxol-4-yl]oxycarbonyl]-2,2-diphenyl-1,3-benzodioxol-4-yl] 7-hydroxy-2,2-diphenyl-1,3-benzodioxole-5-carboxylate;[6-[[6-[[6-[[6-[[6-[(2-methylpropan-2-yl)oxycarbonyl]-2,2-diphenyl-1,3-benzodioxol-4-yl]oxycarbonyl]-2,2-diphenyl-1,3-benzodioxol-4-yl]oxycarbonyl]-2,2-diphenyl-1,3-benzodioxol-4-yl]oxycarbonyl]-2,2-diphenyl-1,3-benzodioxol-4-yl]oxycarbonyl]-2,2-diphenyl-1,3-benzodioxol-4-yl] 3-[2-[2-(trifluoromethyl)phenyl]ethyl]-1H-pyrazole-5-carboxylate;oxolane;2-(trifluoromethyl)benzaldehyde;4-[2-(trifluoromethyl)phenyl]butan-2-one;(E)-4-[2-(trifluoromethyl)phenyl]but-3-en-2-one;5-[2-[2-(trifluoromethyl)phenyl]ethyl]-1H-pyrazole-3-carboxylic acid;1-[5-[2-[2-(trifluoromethyl)phenyl]ethyl]-1H-pyrazol-3-yl]ethanone;dihydroxide has a molecular weight of 7132.92 g/mol, XLogP of 80.38, 86 rotatable bonds, 10 hydrogen bond donors, and 81 hydrogen bond acceptors.
Where does this data come from?
All data for disodium;7-[7-[7-[7-[2,2-diphenyl-7-[3-[2-[2-(trifluoromethyl)phenyl]ethyl]-1H-pyrazole-5-carbonyl]oxy-1,3-benzodioxole-5-carbonyl]oxy-2,2-diphenyl-1,3-benzodioxole-5-carbonyl]oxy-2,2-diphenyl-1,3-benzodioxole-5-carbonyl]oxy-2,2-diphenyl-1,3-benzodioxole-5-carbonyl]oxy-2,2-diphenyl-1,3-benzodioxole-5-carboxylic acid;hydrazine;(Z)-3-hydroxy-7-[2-(trifluoromethyl)phenyl]hept-3-ene-2,5-dione;methane;[6-[[6-[[6-[[6-[(2-methylpropan-2-yl)oxycarbonyl]-2,2-diphenyl-1,3-benzodioxol-4-yl]oxycarbonyl]-2,2-diphenyl-1,3-benzodioxol-4-yl]oxycarbonyl]-2,2-diphenyl-1,3-benzodioxol-4-yl]oxycarbonyl]-2,2-diphenyl-1,3-benzodioxol-4-yl] 7-hydroxy-2,2-diphenyl-1,3-benzodioxole-5-carboxylate;[6-[[6-[[6-[[6-[[6-[(2-methylpropan-2-yl)oxycarbonyl]-2,2-diphenyl-1,3-benzodioxol-4-yl]oxycarbonyl]-2,2-diphenyl-1,3-benzodioxol-4-yl]oxycarbonyl]-2,2-diphenyl-1,3-benzodioxol-4-yl]oxycarbonyl]-2,2-diphenyl-1,3-benzodioxol-4-yl]oxycarbonyl]-2,2-diphenyl-1,3-benzodioxol-4-yl] 3-[2-[2-(trifluoromethyl)phenyl]ethyl]-1H-pyrazole-5-carboxylate;oxolane;2-(trifluoromethyl)benzaldehyde;4-[2-(trifluoromethyl)phenyl]butan-2-one;(E)-4-[2-(trifluoromethyl)phenyl]but-3-en-2-one;5-[2-[2-(trifluoromethyl)phenyl]ethyl]-1H-pyrazole-3-carboxylic acid;1-[5-[2-[2-(trifluoromethyl)phenyl]ethyl]-1H-pyrazol-3-yl]ethanone;dihydroxide is sourced from PubChem (CID 165071239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).