[4-[2-[[3-(2-acetyloxybenzoyl)oxy-2,2-bis[(2-acetyloxybenzoyl)oxymethyl]propoxy]methyl]-2-[(2-acetyloxybenzoyl)oxymethyl]-3-[(2-acetyloxyphenyl)methoxy]propoxy]-2,2-bis[(2-acetyloxybenzoyl)oxymethyl]butyl] 2-acetyloxybenzoate;2-O-[2,3,4,5,6,7,8-heptakis[(2-methoxycarbonylbenzoyl)oxy]octyl] 1-O-methyl benzene-1,2-dicarboxylate;2-O-[2-[[3-(2-methoxycarbonylbenzoyl)oxy-2,2-bis[(2-methoxycarbonylbenzoyl)oxymethyl]propoxy]methyl]-2-[(2-methoxycarbonylbenzoyl)oxymethyl]-3-[(2-methoxycarbonylphenyl)methoxy]propyl] 1-O-methyl benzene-1,2-dicarboxylate;2,3,4,5,6-pentakis[(2-acetyloxybenzoyl)oxy]hexyl 2-acetyloxybenzoate

C292H260O113 — CID 158538701

IUPAC[4-[2-[[3-(2-acetyloxybenzoyl)oxy-2,2-bis[(2-acetyloxybenzoyl)oxymethyl]propoxy]methyl]-2-[(2-acetyloxybenzoyl)oxymethyl]-3-[(2-acetyloxyphenyl)methoxy]propoxy]-2,2-bis[(2-acetyloxybenzoyl)oxymethyl]butyl] 2-acetyloxybenzoate;2-O-[2,3,4,5,6,7,8-heptakis[(2-methoxycarbonylbenzoyl)oxy]octyl] 1-O-methyl benzene-1,2-dicarboxylate;2-O-[2-[[3-(2-methoxycarbonylbenzoyl)oxy-2,2-bis[(2-methoxycarbonylbenzoyl)oxymethyl]propoxy]methyl]-2-[(2-methoxycarbonylbenzoyl)oxymethyl]-3-[(2-methoxycarbonylphenyl)methoxy]propyl] 1-O-methyl benzene-1,2-dicarboxylate;2,3,4,5,6-pentakis[(2-acetyloxybenzoyl)oxy]hexyl 2-acetyloxybenzoate
SMILESCC(=O)Oc1ccccc1C(=O)OCC(OC(=O)c1ccccc1OC(C)=O)C(OC(=O)c1ccccc1OC(C)=O)C(OC(=O)c1ccccc1OC(C)=O)C(COC(=O)c1ccccc1OC(C)=O)OC(=O)c1ccccc1OC(C)=O.CC(=O)Oc1ccccc1COCC(COCCC(COC(=O)c1ccccc1OC(C)=O)(COC(=O)c1ccccc1OC(C)=O)COC(=O)c1ccccc1OC(C)=O)(COCC(COC(=O)c1ccccc1OC(C)=O)(COC(=O)c1ccccc1OC(C)=O)COC(=O)c1ccccc1OC(C)=O)COC(=O)c1ccccc1OC(C)=O.COC(=O)c1ccccc1C(=O)OCC(OC(=O)c1ccccc1C(=O)OC)C(OC(=O)c1ccccc1C(=O)OC)C(OC(=O)c1ccccc1C(=O)OC)C(OC(=O)c1ccccc1C(=O)OC)C(OC(=O)c1ccccc1C(=O)OC)C(COC(=O)c1ccccc1C(=O)OC)OC(=O)c1ccccc1C(=O)OC.COC(=O)c1ccccc1COCC(COCC(COC(=O)c1ccccc1C(=O)OC)(COC(=O)c1ccccc1C(=O)OC)COC(=O)c1ccccc1C(=O)OC)(COC(=O)c1ccccc1C(=O)OC)COC(=O)c1ccccc1C(=O)OC
InChIInChI=1S/C88H84O33.C80H66O32.C64H60O24.C60H50O24/c1-55(89)114-71-33-17-9-25-63(71)43-105-45-87(51-110-82(100)67-29-13-21-37-75(67)118-59(5)93,46-106-47-88(52-111-83(101)68-30-14-22-38-76(68)119-60(6)94,53-112-84(102)69-31-15-23-39-77(69)120-61(7)95)54-113-85(103)70-32-16-24-40-78(70)121-62(8)96)44-104-42-41-86(48-107-79(97)64-26-10-18-34-72(64)115-56(2)90,49-108-80(98)65-27-11-19-35-73(65)116-57(3)91)50-109-81(99)66-28-12-20-36-74(66)117-58(4)92;1-97-65(81)43-25-9-17-33-51(43)73(89)105-41-59(107-75(91)53-35-19-11-27-45(53)67(83)99-3)61(109-77(93)55-37-21-13-29-47(55)69(85)101-5)63(111-79(95)57-39-23-15-31-49(57)71(87)103-7)64(112-80(96)58-40-24-16-32-50(58)72(88)104-8)62(110-78(94)56-38-22-14-30-48(56)70(86)102-6)60(108-76(92)54-36-20-12-28-46(54)68(84)100-4)42-106-74(90)52-34-18-10-26-44(52)66(82)98-2;1-76-52(65)41-20-8-7-19-40(41)31-82-32-63(35-84-58(71)47-26-14-9-21-42(47)53(66)77-2,36-85-59(72)48-27-15-10-22-43(48)54(67)78-3)33-83-34-64(37-86-60(73)49-28-16-11-23-44(49)55(68)79-4,38-87-61(74)50-29-17-12-24-45(50)56(69)80-5)39-88-62(75)51-30-18-13-25-46(51)57(70)81-6;1-33(61)75-45-25-13-7-19-39(45)55(67)73-31-51(81-57(69)41-21-9-15-27-47(41)77-35(3)63)53(83-59(71)43-23-11-17-29-49(43)79-37(5)65)54(84-60(72)44-24-12-18-30-50(44)80-38(6)66)52(82-58(70)42-22-10-16-28-48(42)78-36(4)64)32-74-56(68)40-20-8-14-26-46(40)76-34(2)62/h9-40H,41-54H2,1-8H3;9-40,59-64H,41-42H2,1-8H3;7-30H,31-39H2,1-6H3;7-30,51-54H,31-32H2,1-6H3
InChIKeyHOGIMDJZSWGFTO-UHFFFAOYSA-N
MW5577.18 g/mol
LogP33.69
Rot. Bonds125

About [4-[2-[[3-(2-acetyloxybenzoyl)oxy-2,2-bis[(2-acetyloxybenzoyl)oxymethyl]propoxy]methyl]-2-[(2-acetyloxybenzoyl)oxymethyl]-3-[(2-acetyloxyphenyl)methoxy]propoxy]-2,2-bis[(2-acetyloxybenzoyl)oxymethyl]butyl] 2-acetyloxybenzoate;2-O-[2,3,4,5,6,7,8-heptakis[(2-methoxycarbonylbenzoyl)oxy]octyl] 1-O-methyl benzene-1,2-dicarboxylate;2-O-[2-[[3-(2-methoxycarbonylbenzoyl)oxy-2,2-bis[(2-methoxycarbonylbenzoyl)oxymethyl]propoxy]methyl]-2-[(2-methoxycarbonylbenzoyl)oxymethyl]-3-[(2-methoxycarbonylphenyl)methoxy]propyl] 1-O-methyl benzene-1,2-dicarboxylate;2,3,4,5,6-pentakis[(2-acetyloxybenzoyl)oxy]hexyl 2-acetyloxybenzoate

[4-[2-[[3-(2-acetyloxybenzoyl)oxy-2,2-bis[(2-acetyloxybenzoyl)oxymethyl]propoxy]methyl]-2-[(2-acetyloxybenzoyl)oxymethyl]-3-[(2-acetyloxyphenyl)methoxy]propoxy]-2,2-bis[(2-acetyloxybenzoyl)oxymethyl]butyl] 2-acetyloxybenzoate;2-O-[2,3,4,5,6,7,8-heptakis[(2-methoxycarbonylbenzoyl)oxy]octyl] 1-O-methyl benzene-1,2-dicarboxylate;2-O-[2-[[3-(2-methoxycarbonylbenzoyl)oxy-2,2-bis[(2-methoxycarbonylbenzoyl)oxymethyl]propoxy]methyl]-2-[(2-methoxycarbonylbenzoyl)oxymethyl]-3-[(2-methoxycarbonylphenyl)methoxy]propyl] 1-O-methyl benzene-1,2-dicarboxylate;2,3,4,5,6-pentakis[(2-acetyloxybenzoyl)oxy]hexyl 2-acetyloxybenzoate (PubChem CID 158538701) has the molecular formula C292H260O113 and a molecular weight of 5577.18 g/mol. Its IUPAC name is [4-[2-[[3-(2-acetyloxybenzoyl)oxy-2,2-bis[(2-acetyloxybenzoyl)oxymethyl]propoxy]methyl]-2-[(2-acetyloxybenzoyl)oxymethyl]-3-[(2-acetyloxyphenyl)methoxy]propoxy]-2,2-bis[(2-acetyloxybenzoyl)oxymethyl]butyl] 2-acetyloxybenzoate;2-O-[2,3,4,5,6,7,8-heptakis[(2-methoxycarbonylbenzoyl)oxy]octyl] 1-O-methyl benzene-1,2-dicarboxylate;2-O-[2-[[3-(2-methoxycarbonylbenzoyl)oxy-2,2-bis[(2-methoxycarbonylbenzoyl)oxymethyl]propoxy]methyl]-2-[(2-methoxycarbonylbenzoyl)oxymethyl]-3-[(2-methoxycarbonylphenyl)methoxy]propyl] 1-O-methyl benzene-1,2-dicarboxylate;2,3,4,5,6-pentakis[(2-acetyloxybenzoyl)oxy]hexyl 2-acetyloxybenzoate.

Molecular Properties

Compound Name[4-[2-[[3-(2-acetyloxybenzoyl)oxy-2,2-bis[(2-acetyloxybenzoyl)oxymethyl]propoxy]methyl]-2-[(2-acetyloxybenzoyl)oxymethyl]-3-[(2-acetyloxyphenyl)methoxy]propoxy]-2,2-bis[(2-acetyloxybenzoyl)oxymethyl]butyl] 2-acetyloxybenzoate;2-O-[2,3,4,5,6,7,8-heptakis[(2-methoxycarbonylbenzoyl)oxy]octyl] 1-O-methyl benzene-1,2-dicarboxylate;2-O-[2-[[3-(2-methoxycarbonylbenzoyl)oxy-2,2-bis[(2-methoxycarbonylbenzoyl)oxymethyl]propoxy]methyl]-2-[(2-methoxycarbonylbenzoyl)oxymethyl]-3-[(2-methoxycarbonylphenyl)methoxy]propyl] 1-O-methyl benzene-1,2-dicarboxylate;2,3,4,5,6-pentakis[(2-acetyloxybenzoyl)oxy]hexyl 2-acetyloxybenzoate
PubChem CID158538701
Molecular FormulaC292H260O113
Molecular Weight5577.18 g/mol
Exact Mass5573.46
IUPAC Name[4-[2-[[3-(2-acetyloxybenzoyl)oxy-2,2-bis[(2-acetyloxybenzoyl)oxymethyl]propoxy]methyl]-2-[(2-acetyloxybenzoyl)oxymethyl]-3-[(2-acetyloxyphenyl)methoxy]propoxy]-2,2-bis[(2-acetyloxybenzoyl)oxymethyl]butyl] 2-acetyloxybenzoate;2-O-[2,3,4,5,6,7,8-heptakis[(2-methoxycarbonylbenzoyl)oxy]octyl] 1-O-methyl benzene-1,2-dicarboxylate;2-O-[2-[[3-(2-methoxycarbonylbenzoyl)oxy-2,2-bis[(2-methoxycarbonylbenzoyl)oxymethyl]propoxy]methyl]-2-[(2-methoxycarbonylbenzoyl)oxymethyl]-3-[(2-methoxycarbonylphenyl)methoxy]propyl] 1-O-methyl benzene-1,2-dicarboxylate;2,3,4,5,6-pentakis[(2-acetyloxybenzoyl)oxy]hexyl 2-acetyloxybenzoate
SMILESCC(=O)Oc1ccccc1C(=O)OCC(OC(=O)c1ccccc1OC(C)=O)C(OC(=O)c1ccccc1OC(C)=O)C(OC(=O)c1ccccc1OC(C)=O)C(COC(=O)c1ccccc1OC(C)=O)OC(=O)c1ccccc1OC(C)=O.CC(=O)Oc1ccccc1COCC(COCCC(COC(=O)c1ccccc1OC(C)=O)(COC(=O)c1ccccc1OC(C)=O)COC(=O)c1ccccc1OC(C)=O)(COCC(COC(=O)c1ccccc1OC(C)=O)(COC(=O)c1ccccc1OC(C)=O)COC(=O)c1ccccc1OC(C)=O)COC(=O)c1ccccc1OC(C)=O.COC(=O)c1ccccc1C(=O)OCC(OC(=O)c1ccccc1C(=O)OC)C(OC(=O)c1ccccc1C(=O)OC)C(OC(=O)c1ccccc1C(=O)OC)C(OC(=O)c1ccccc1C(=O)OC)C(OC(=O)c1ccccc1C(=O)OC)C(COC(=O)c1ccccc1C(=O)OC)OC(=O)c1ccccc1C(=O)OC.COC(=O)c1ccccc1COCC(COCC(COC(=O)c1ccccc1C(=O)OC)(COC(=O)c1ccccc1C(=O)OC)COC(=O)c1ccccc1C(=O)OC)(COC(=O)c1ccccc1C(=O)OC)COC(=O)c1ccccc1C(=O)OC
InChIInChI=1S/C88H84O33.C80H66O32.C64H60O24.C60H50O24/c1-55(89)114-71-33-17-9-25-63(71)43-105-45-87(51-110-82(100)67-29-13-21-37-75(67)118-59(5)93,46-106-47-88(52-111-83(101)68-30-14-22-38-76(68)119-60(6)94,53-112-84(102)69-31-15-23-39-77(69)120-61(7)95)54-113-85(103)70-32-16-24-40-78(70)121-62(8)96)44-104-42-41-86(48-107-79(97)64-26-10-18-34-72(64)115-56(2)90,49-108-80(98)65-27-11-19-35-73(65)116-57(3)91)50-109-81(99)66-28-12-20-36-74(66)117-58(4)92;1-97-65(81)43-25-9-17-33-51(43)73(89)105-41-59(107-75(91)53-35-19-11-27-45(53)67(83)99-3)61(109-77(93)55-37-21-13-29-47(55)69(85)101-5)63(111-79(95)57-39-23-15-31-49(57)71(87)103-7)64(112-80(96)58-40-24-16-32-50(58)72(88)104-8)62(110-78(94)56-38-22-14-30-48(56)70(86)102-6)60(108-76(92)54-36-20-12-28-46(54)68(84)100-4)42-106-74(90)52-34-18-10-26-44(52)66(82)98-2;1-76-52(65)41-20-8-7-19-40(41)31-82-32-63(35-84-58(71)47-26-14-9-21-42(47)53(66)77-2,36-85-59(72)48-27-15-10-22-43(48)54(67)78-3)33-83-34-64(37-86-60(73)49-28-16-11-23-44(49)55(68)79-4,38-87-61(74)50-29-17-12-24-45(50)56(69)80-5)39-88-62(75)51-30-18-13-25-46(51)57(70)81-6;1-33(61)75-45-25-13-7-19-39(45)55(67)73-31-51(81-57(69)41-21-9-15-27-47(41)77-35(3)63)53(83-59(71)43-23-11-17-29-49(43)79-37(5)65)54(84-60(72)44-24-12-18-30-50(44)80-38(6)66)52(82-58(70)42-22-10-16-28-48(42)78-36(4)64)32-74-56(68)40-20-8-14-26-46(40)76-34(2)62/h9-40H,41-54H2,1-8H3;9-40,59-64H,41-42H2,1-8H3;7-30H,31-39H2,1-6H3;7-30,51-54H,31-32H2,1-6H3
InChIKeyHOGIMDJZSWGFTO-UHFFFAOYSA-N
XLogP33.69
TPSA1466.35 Ų
H-Bond Donors
H-Bond Acceptors113
Rotatable Bonds125
Heavy Atoms405
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5005577.18
LogP ≤ 533.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 10113

Analyze [4-[2-[[3-(2-acetyloxybenzoyl)oxy-2,2-bis[(2-acetyloxybenzoyl)oxymethyl]propoxy]methyl]-2-[(2-acetyloxybenzoyl)oxymethyl]-3-[(2-acetyloxyphenyl)methoxy]propoxy]-2,2-bis[(2-acetyloxybenzoyl)oxymethyl]butyl] 2-acetyloxybenzoate;2-O-[2,3,4,5,6,7,8-heptakis[(2-methoxycarbonylbenzoyl)oxy]octyl] 1-O-methyl benzene-1,2-dicarboxylate;2-O-[2-[[3-(2-methoxycarbonylbenzoyl)oxy-2,2-bis[(2-methoxycarbonylbenzoyl)oxymethyl]propoxy]methyl]-2-[(2-methoxycarbonylbenzoyl)oxymethyl]-3-[(2-methoxycarbonylphenyl)methoxy]propyl] 1-O-methyl benzene-1,2-dicarboxylate;2,3,4,5,6-pentakis[(2-acetyloxybenzoyl)oxy]hexyl 2-acetyloxybenzoate with MolForge

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Related Compounds

[3-(2-acetyloxybenzoyl)oxy-2-[[2-[[3-(2-acetyloxybenzoyl)oxy-2,2-bis[(2-acetyloxybenzoyl)oxymethyl]propoxy]methyl]-2-[(2-acetyloxybenzoyl)oxymethyl]-3-[(2-acetyloxyphenyl)methoxy]propoxy]methyl]-2-[(2-acetyloxybenzoyl)oxymethyl]propyl] 2-(2-oxopropyl)benzoate
CID 89007242
2-O-[2,2-bis[(2-methoxycarbonylbenzoyl)oxymethyl]-3-[(2-methoxycarbonylphenyl)methoxy]propyl] 1-O-methyl benzene-1,2-dicarboxylate
CID 58658121
[4-(3-acetyloxyphenyl)-2-[2,2-bis[(3-acetyloxybenzoyl)oxymethyl]butoxymethyl]-4-oxobutyl] 3-acetyloxybenzoate;2-O-[2-[2,2-bis[(2-methoxycarbonylbenzoyl)oxymethyl]butoxymethyl]-2-ethyl-4-(2-methoxycarbonylphenyl)-4-oxobutyl] 1-O-methyl benzene-1,2-dicarboxylate;2-O-[2-(hydroxymethyl)-3-(2-methoxycarbonylbenzoyl)oxy-2-[[3-(2-methoxycarbonylbenzoyl)oxy-2,2-bis[(2-methoxycarbonylbenzoyl)oxymethyl]propoxy]methyl]propyl] 1-O-methyl benzene-1,2-dicarboxylate;2,3,4,5-tetrakis[(2-acetyloxybenzoyl)oxy]pentyl 2-acetyloxybenzoate
CID 161329331
[2,2-bis[(2-acetyloxybenzoyl)oxymethyl]-3-(2-carboniodidoyloxybenzoyl)oxypropyl] 2-acetyloxybenzoate
CID 163829030
methyl 2-[[2-(2-acetyloxyphenyl)acetyl]amino]benzoate
CID 11450246
(2-acetamidophenyl)methyl 2-acetyloxybenzoate
CID 20571663
[3-(2-methoxybenzoyl)oxy-2,2-bis[(2-methoxybenzoyl)oxymethyl]propyl] 2-methoxybenzoate
CID 54498561
2-acetyloxyethyl 2-acetyloxybenzoate
CID 91699041
6-(2-acetyloxybenzoyl)oxyhexyl 2-acetyloxybenzoate
CID 18720465
[2-[(dihydroxyamino)oxymethyl]phenyl] 2-acetyloxybenzoate
CID 89125455
(2-acetyloxyphenyl)methyl acetate
CID 10889107
ethyl 2-acetyloxybenzoate;hydrochloride
CID 168984732

Frequently Asked Questions

What is the IUPAC name of [4-[2-[[3-(2-acetyloxybenzoyl)oxy-2,2-bis[(2-acetyloxybenzoyl)oxymethyl]propoxy]methyl]-2-[(2-acetyloxybenzoyl)oxymethyl]-3-[(2-acetyloxyphenyl)methoxy]propoxy]-2,2-bis[(2-acetyloxybenzoyl)oxymethyl]butyl] 2-acetyloxybenzoate;2-O-[2,3,4,5,6,7,8-heptakis[(2-methoxycarbonylbenzoyl)oxy]octyl] 1-O-methyl benzene-1,2-dicarboxylate;2-O-[2-[[3-(2-methoxycarbonylbenzoyl)oxy-2,2-bis[(2-methoxycarbonylbenzoyl)oxymethyl]propoxy]methyl]-2-[(2-methoxycarbonylbenzoyl)oxymethyl]-3-[(2-methoxycarbonylphenyl)methoxy]propyl] 1-O-methyl benzene-1,2-dicarboxylate;2,3,4,5,6-pentakis[(2-acetyloxybenzoyl)oxy]hexyl 2-acetyloxybenzoate?
The IUPAC name of [4-[2-[[3-(2-acetyloxybenzoyl)oxy-2,2-bis[(2-acetyloxybenzoyl)oxymethyl]propoxy]methyl]-2-[(2-acetyloxybenzoyl)oxymethyl]-3-[(2-acetyloxyphenyl)methoxy]propoxy]-2,2-bis[(2-acetyloxybenzoyl)oxymethyl]butyl] 2-acetyloxybenzoate;2-O-[2,3,4,5,6,7,8-heptakis[(2-methoxycarbonylbenzoyl)oxy]octyl] 1-O-methyl benzene-1,2-dicarboxylate;2-O-[2-[[3-(2-methoxycarbonylbenzoyl)oxy-2,2-bis[(2-methoxycarbonylbenzoyl)oxymethyl]propoxy]methyl]-2-[(2-methoxycarbonylbenzoyl)oxymethyl]-3-[(2-methoxycarbonylphenyl)methoxy]propyl] 1-O-methyl benzene-1,2-dicarboxylate;2,3,4,5,6-pentakis[(2-acetyloxybenzoyl)oxy]hexyl 2-acetyloxybenzoate (CID 158538701) is [4-[2-[[3-(2-acetyloxybenzoyl)oxy-2,2-bis[(2-acetyloxybenzoyl)oxymethyl]propoxy]methyl]-2-[(2-acetyloxybenzoyl)oxymethyl]-3-[(2-acetyloxyphenyl)methoxy]propoxy]-2,2-bis[(2-acetyloxybenzoyl)oxymethyl]butyl] 2-acetyloxybenzoate;2-O-[2,3,4,5,6,7,8-heptakis[(2-methoxycarbonylbenzoyl)oxy]octyl] 1-O-methyl benzene-1,2-dicarboxylate;2-O-[2-[[3-(2-methoxycarbonylbenzoyl)oxy-2,2-bis[(2-methoxycarbonylbenzoyl)oxymethyl]propoxy]methyl]-2-[(2-methoxycarbonylbenzoyl)oxymethyl]-3-[(2-methoxycarbonylphenyl)methoxy]propyl] 1-O-methyl benzene-1,2-dicarboxylate;2,3,4,5,6-pentakis[(2-acetyloxybenzoyl)oxy]hexyl 2-acetyloxybenzoate.
What is the SMILES notation for [4-[2-[[3-(2-acetyloxybenzoyl)oxy-2,2-bis[(2-acetyloxybenzoyl)oxymethyl]propoxy]methyl]-2-[(2-acetyloxybenzoyl)oxymethyl]-3-[(2-acetyloxyphenyl)methoxy]propoxy]-2,2-bis[(2-acetyloxybenzoyl)oxymethyl]butyl] 2-acetyloxybenzoate;2-O-[2,3,4,5,6,7,8-heptakis[(2-methoxycarbonylbenzoyl)oxy]octyl] 1-O-methyl benzene-1,2-dicarboxylate;2-O-[2-[[3-(2-methoxycarbonylbenzoyl)oxy-2,2-bis[(2-methoxycarbonylbenzoyl)oxymethyl]propoxy]methyl]-2-[(2-methoxycarbonylbenzoyl)oxymethyl]-3-[(2-methoxycarbonylphenyl)methoxy]propyl] 1-O-methyl benzene-1,2-dicarboxylate;2,3,4,5,6-pentakis[(2-acetyloxybenzoyl)oxy]hexyl 2-acetyloxybenzoate?
The canonical SMILES for [4-[2-[[3-(2-acetyloxybenzoyl)oxy-2,2-bis[(2-acetyloxybenzoyl)oxymethyl]propoxy]methyl]-2-[(2-acetyloxybenzoyl)oxymethyl]-3-[(2-acetyloxyphenyl)methoxy]propoxy]-2,2-bis[(2-acetyloxybenzoyl)oxymethyl]butyl] 2-acetyloxybenzoate;2-O-[2,3,4,5,6,7,8-heptakis[(2-methoxycarbonylbenzoyl)oxy]octyl] 1-O-methyl benzene-1,2-dicarboxylate;2-O-[2-[[3-(2-methoxycarbonylbenzoyl)oxy-2,2-bis[(2-methoxycarbonylbenzoyl)oxymethyl]propoxy]methyl]-2-[(2-methoxycarbonylbenzoyl)oxymethyl]-3-[(2-methoxycarbonylphenyl)methoxy]propyl] 1-O-methyl benzene-1,2-dicarboxylate;2,3,4,5,6-pentakis[(2-acetyloxybenzoyl)oxy]hexyl 2-acetyloxybenzoate is CC(=O)Oc1ccccc1C(=O)OCC(OC(=O)c1ccccc1OC(C)=O)C(OC(=O)c1ccccc1OC(C)=O)C(OC(=O)c1ccccc1OC(C)=O)C(COC(=O)c1ccccc1OC(C)=O)OC(=O)c1ccccc1OC(C)=O.CC(=O)Oc1ccccc1COCC(COCCC(COC(=O)c1ccccc1OC(C)=O)(COC(=O)c1ccccc1OC(C)=O)COC(=O)c1ccccc1OC(C)=O)(COCC(COC(=O)c1ccccc1OC(C)=O)(COC(=O)c1ccccc1OC(C)=O)COC(=O)c1ccccc1OC(C)=O)COC(=O)c1ccccc1OC(C)=O.COC(=O)c1ccccc1C(=O)OCC(OC(=O)c1ccccc1C(=O)OC)C(OC(=O)c1ccccc1C(=O)OC)C(OC(=O)c1ccccc1C(=O)OC)C(OC(=O)c1ccccc1C(=O)OC)C(OC(=O)c1ccccc1C(=O)OC)C(COC(=O)c1ccccc1C(=O)OC)OC(=O)c1ccccc1C(=O)OC.COC(=O)c1ccccc1COCC(COCC(COC(=O)c1ccccc1C(=O)OC)(COC(=O)c1ccccc1C(=O)OC)COC(=O)c1ccccc1C(=O)OC)(COC(=O)c1ccccc1C(=O)OC)COC(=O)c1ccccc1C(=O)OC.
What is the InChIKey of [4-[2-[[3-(2-acetyloxybenzoyl)oxy-2,2-bis[(2-acetyloxybenzoyl)oxymethyl]propoxy]methyl]-2-[(2-acetyloxybenzoyl)oxymethyl]-3-[(2-acetyloxyphenyl)methoxy]propoxy]-2,2-bis[(2-acetyloxybenzoyl)oxymethyl]butyl] 2-acetyloxybenzoate;2-O-[2,3,4,5,6,7,8-heptakis[(2-methoxycarbonylbenzoyl)oxy]octyl] 1-O-methyl benzene-1,2-dicarboxylate;2-O-[2-[[3-(2-methoxycarbonylbenzoyl)oxy-2,2-bis[(2-methoxycarbonylbenzoyl)oxymethyl]propoxy]methyl]-2-[(2-methoxycarbonylbenzoyl)oxymethyl]-3-[(2-methoxycarbonylphenyl)methoxy]propyl] 1-O-methyl benzene-1,2-dicarboxylate;2,3,4,5,6-pentakis[(2-acetyloxybenzoyl)oxy]hexyl 2-acetyloxybenzoate?
The InChIKey is HOGIMDJZSWGFTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C88H84O33.C80H66O32.C64H60O24.C60H50O24/c1-55(89)114-71-33-17-9-25-63(71)43-105-45-87(51-110-82(100)67-29-13-21-37-75(67)118-59(5)93,46-106-47-88(52-111-83(101)68-30-14-22-38-76(68)119-60(6)94,53-112-84(102)69-31-15-23-39-77(69)120-61(7)95)54-113-85(103)70-32-16-24-40-78(70)121-62(8)96)44-104-42-41-86(48-107-79(97)64-26-10-18-34-72(64)115-56(2)90,49-108-80(98)65-27-11-19-35-73(65)116-57(3)91)50-109-81(99)66-28-12-20-36-74(66)117-58(4)92;1-97-65(81)43-25-9-17-33-51(43)73(89)105-41-59(107-75(91)53-35-19-11-27-45(53)67(83)99-3)61(109-77(93)55-37-21-13-29-47(55)69(85)101-5)63(111-79(95)57-39-23-15-31-49(57)71(87)103-7)64(112-80(96)58-40-24-16-32-50(58)72(88)104-8)62(110-78(94)56-38-22-14-30-48(56)70(86)102-6)60(108-76(92)54-36-20-12-28-46(54)68(84)100-4)42-106-74(90)52-34-18-10-26-44(52)66(82)98-2;1-76-52(65)41-20-8-7-19-40(41)31-82-32-63(35-84-58(71)47-26-14-9-21-42(47)53(66)77-2,36-85-59(72)48-27-15-10-22-43(48)54(67)78-3)33-83-34-64(37-86-60(73)49-28-16-11-23-44(49)55(68)79-4,38-87-61(74)50-29-17-12-24-45(50)56(69)80-5)39-88-62(75)51-30-18-13-25-46(51)57(70)81-6;1-33(61)75-45-25-13-7-19-39(45)55(67)73-31-51(81-57(69)41-21-9-15-27-47(41)77-35(3)63)53(83-59(71)43-23-11-17-29-49(43)79-37(5)65)54(84-60(72)44-24-12-18-30-50(44)80-38(6)66)52(82-58(70)42-22-10-16-28-48(42)78-36(4)64)32-74-56(68)40-20-8-14-26-46(40)76-34(2)62/h9-40H,41-54H2,1-8H3;9-40,59-64H,41-42H2,1-8H3;7-30H,31-39H2,1-6H3;7-30,51-54H,31-32H2,1-6H3.
What are the key properties of [4-[2-[[3-(2-acetyloxybenzoyl)oxy-2,2-bis[(2-acetyloxybenzoyl)oxymethyl]propoxy]methyl]-2-[(2-acetyloxybenzoyl)oxymethyl]-3-[(2-acetyloxyphenyl)methoxy]propoxy]-2,2-bis[(2-acetyloxybenzoyl)oxymethyl]butyl] 2-acetyloxybenzoate;2-O-[2,3,4,5,6,7,8-heptakis[(2-methoxycarbonylbenzoyl)oxy]octyl] 1-O-methyl benzene-1,2-dicarboxylate;2-O-[2-[[3-(2-methoxycarbonylbenzoyl)oxy-2,2-bis[(2-methoxycarbonylbenzoyl)oxymethyl]propoxy]methyl]-2-[(2-methoxycarbonylbenzoyl)oxymethyl]-3-[(2-methoxycarbonylphenyl)methoxy]propyl] 1-O-methyl benzene-1,2-dicarboxylate;2,3,4,5,6-pentakis[(2-acetyloxybenzoyl)oxy]hexyl 2-acetyloxybenzoate?
[4-[2-[[3-(2-acetyloxybenzoyl)oxy-2,2-bis[(2-acetyloxybenzoyl)oxymethyl]propoxy]methyl]-2-[(2-acetyloxybenzoyl)oxymethyl]-3-[(2-acetyloxyphenyl)methoxy]propoxy]-2,2-bis[(2-acetyloxybenzoyl)oxymethyl]butyl] 2-acetyloxybenzoate;2-O-[2,3,4,5,6,7,8-heptakis[(2-methoxycarbonylbenzoyl)oxy]octyl] 1-O-methyl benzene-1,2-dicarboxylate;2-O-[2-[[3-(2-methoxycarbonylbenzoyl)oxy-2,2-bis[(2-methoxycarbonylbenzoyl)oxymethyl]propoxy]methyl]-2-[(2-methoxycarbonylbenzoyl)oxymethyl]-3-[(2-methoxycarbonylphenyl)methoxy]propyl] 1-O-methyl benzene-1,2-dicarboxylate;2,3,4,5,6-pentakis[(2-acetyloxybenzoyl)oxy]hexyl 2-acetyloxybenzoate has a molecular weight of 5577.18 g/mol, XLogP of 33.69, 125 rotatable bonds, 0 hydrogen bond donors, and 113 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-[[3-(2-acetyloxybenzoyl)oxy-2,2-bis[(2-acetyloxybenzoyl)oxymethyl]propoxy]methyl]-2-[(2-acetyloxybenzoyl)oxymethyl]-3-[(2-acetyloxyphenyl)methoxy]propoxy]-2,2-bis[(2-acetyloxybenzoyl)oxymethyl]butyl] 2-acetyloxybenzoate;2-O-[2,3,4,5,6,7,8-heptakis[(2-methoxycarbonylbenzoyl)oxy]octyl] 1-O-methyl benzene-1,2-dicarboxylate;2-O-[2-[[3-(2-methoxycarbonylbenzoyl)oxy-2,2-bis[(2-methoxycarbonylbenzoyl)oxymethyl]propoxy]methyl]-2-[(2-methoxycarbonylbenzoyl)oxymethyl]-3-[(2-methoxycarbonylphenyl)methoxy]propyl] 1-O-methyl benzene-1,2-dicarboxylate;2,3,4,5,6-pentakis[(2-acetyloxybenzoyl)oxy]hexyl 2-acetyloxybenzoate is sourced from PubChem (CID 158538701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).