hexadecasodium;6-[(3-acetamido-2,4,6-trimethylbenzene-5-id-1-yl)amino]-9-(2-sulfonatophenyl)-3-(2,3,4,6-tetramethyl-5-sulfonatophenyl)azaniumylidene-7H-xanthen-7-ide-2-sulfonate;6-(2,6-diethylanilino)-3-(2,6-diethylphenyl)azaniumylidene-9-(2-sulfonatophenyl)-7H-xanthen-7-ide-2-sulfonate;6-[(2,6-diethyl-4-methylbenzene-5-id-1-yl)amino]-3-(2,6-diethyl-4-methyl-3-sulfonatophenyl)azaniumylidene-9-(2-sulfonatophenyl)-7H-xanthen-7-ide-2-sulfonate;6-[2,6-di(propan-2-yl)-4-sulfonatoanilino]-3-[2,6-di(propan-2-yl)-4-sulfonatophenyl]azaniumylidene-9-(2-sulfonatophenyl)-7H-xanthen-7-ide-2-sulfonate;methanesulfonate;hexakis(sulfur trioxide)

C165H157N9Na16O65S20 — CID 159630085

IUPAChexadecasodium;6-[(3-acetamido-2,4,6-trimethylbenzene-5-id-1-yl)amino]-9-(2-sulfonatophenyl)-3-(2,3,4,6-tetramethyl-5-sulfonatophenyl)azaniumylidene-7H-xanthen-7-ide-2-sulfonate;6-(2,6-diethylanilino)-3-(2,6-diethylphenyl)azaniumylidene-9-(2-sulfonatophenyl)-7H-xanthen-7-ide-2-sulfonate;6-[(2,6-diethyl-4-methylbenzene-5-id-1-yl)amino]-3-(2,6-diethyl-4-methyl-3-sulfonatophenyl)azaniumylidene-9-(2-sulfonatophenyl)-7H-xanthen-7-ide-2-sulfonate;6-[2,6-di(propan-2-yl)-4-sulfonatoanilino]-3-[2,6-di(propan-2-yl)-4-sulfonatophenyl]azaniumylidene-9-(2-sulfonatophenyl)-7H-xanthen-7-ide-2-sulfonate;methanesulfonate;hexakis(sulfur trioxide)
SMILESCC(=O)Nc1c(C)[c-]c(C)c(Nc2[c-]cc3c(-c4ccccc4S(=O)(=O)[O-])c4cc(S(=O)(=O)[O-])/c(=[NH+]/c5c(C)c(C)c(C)c(S(=O)(=O)[O-])c5C)cc-4oc3c2)c1C.CC(C)c1cc(S(=O)(=O)[O-])cc(C(C)C)c1Nc1[c-]cc2c(-c3ccccc3S(=O)(=O)[O-])c3cc(S(=O)(=O)[O-])/c(=[NH+]/c4c(C(C)C)cc(S(=O)(=O)[O-])cc4C(C)C)cc-3oc2c1.CCc1[c-]c(C)cc(CC)c1Nc1[c-]cc2c(-c3ccccc3S(=O)(=O)[O-])c3cc(S(=O)(=O)[O-])/c(=[NH+]/c4c(CC)cc(C)c(S(=O)(=O)[O-])c4CC)cc-3oc2c1.CCc1cccc(CC)c1Nc1[c-]cc2c(-c3ccccc3S(=O)(=O)[O-])c3cc(S(=O)(=O)[O-])/c(=[NH+]/c4c(CC)cccc4CC)cc-3oc2c1.CS(=O)(=O)[O-].CS(=O)(=O)[O-].O=S(=O)=O.O=S(=O)=O.O=S(=O)=O.O=S(=O)=O.O=S(=O)=O.O=S(=O)=O.[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+]
InChIInChI=1S/C43H45N2O13S4.C41H40N2O10S3.C40H37N3O11S3.C39H37N2O7S2.2CH4O3S.16Na.6O3S/c1-22(2)31-16-27(59(46,47)48)17-32(23(3)4)42(31)44-26-13-14-29-37(15-26)58-38-21-36(45-43-33(24(5)6)18-28(60(49,50)51)19-34(43)25(7)8)40(62(55,56)57)20-35(38)41(29)30-11-9-10-12-39(30)61(52,53)54;1-7-25-17-23(5)18-26(8-2)39(25)42-28-15-16-30-34(20-28)53-35-22-33(43-40-27(9-3)19-24(6)41(29(40)10-4)56(50,51)52)37(55(47,48)49)21-32(35)38(30)31-13-11-12-14-36(31)54(44,45)46;1-19-15-20(2)38(24(6)37(19)41-26(8)44)42-27-13-14-28-32(16-27)54-33-18-31(43-39-22(4)21(3)23(5)40(25(39)7)57(51,52)53)35(56(48,49)50)17-30(33)36(28)29-11-9-10-12-34(29)55(45,46)47;1-5-24-13-11-14-25(6-2)38(24)40-28-19-20-29-33(21-28)48-34-23-32(41-39-26(7-3)15-12-16-27(39)8-4)36(50(45,46)47)22-31(34)37(29)30-17-9-10-18-35(30)49(42,43)44;2*1-5(2,3)4;;;;;;;;;;;;;;;;;6*1-4(2)3/h9-12,14-25,44H,1-8H3,(H,46,47,48)(H,49,50,51)(H,52,53,54)(H,55,56,57);11-14,16-17,19-22,42H,7-10H2,1-6H3,(H,44,45,46)(H,47,48,49)(H,50,51,52);9-12,14,16-18,42H,1-8H3,(H,41,44)(H,45,46,47)(H,48,49,50)(H,51,52,53);9-18,20-23,40H,5-8H2,1-4H3,(H,42,43,44)(H,45,46,47);2*1H3,(H,2,3,4);;;;;;;;;;;;;;;;;;;;;;/q-1;2*-2;-1;;;16*+1;;;;;;/p-10/b45-36+;43-33+;43-31+;41-32+;;;;;;;;;;;;;;;;;;;;;;;;
InChIKeyKWACIVLMOMIEND-PDUHRIAYSA-D
MW4315.25 g/mol
LogP-33.22
Rot. Bonds41

About hexadecasodium;6-[(3-acetamido-2,4,6-trimethylbenzene-5-id-1-yl)amino]-9-(2-sulfonatophenyl)-3-(2,3,4,6-tetramethyl-5-sulfonatophenyl)azaniumylidene-7H-xanthen-7-ide-2-sulfonate;6-(2,6-diethylanilino)-3-(2,6-diethylphenyl)azaniumylidene-9-(2-sulfonatophenyl)-7H-xanthen-7-ide-2-sulfonate;6-[(2,6-diethyl-4-methylbenzene-5-id-1-yl)amino]-3-(2,6-diethyl-4-methyl-3-sulfonatophenyl)azaniumylidene-9-(2-sulfonatophenyl)-7H-xanthen-7-ide-2-sulfonate;6-[2,6-di(propan-2-yl)-4-sulfonatoanilino]-3-[2,6-di(propan-2-yl)-4-sulfonatophenyl]azaniumylidene-9-(2-sulfonatophenyl)-7H-xanthen-7-ide-2-sulfonate;methanesulfonate;hexakis(sulfur trioxide)

hexadecasodium;6-[(3-acetamido-2,4,6-trimethylbenzene-5-id-1-yl)amino]-9-(2-sulfonatophenyl)-3-(2,3,4,6-tetramethyl-5-sulfonatophenyl)azaniumylidene-7H-xanthen-7-ide-2-sulfonate;6-(2,6-diethylanilino)-3-(2,6-diethylphenyl)azaniumylidene-9-(2-sulfonatophenyl)-7H-xanthen-7-ide-2-sulfonate;6-[(2,6-diethyl-4-methylbenzene-5-id-1-yl)amino]-3-(2,6-diethyl-4-methyl-3-sulfonatophenyl)azaniumylidene-9-(2-sulfonatophenyl)-7H-xanthen-7-ide-2-sulfonate;6-[2,6-di(propan-2-yl)-4-sulfonatoanilino]-3-[2,6-di(propan-2-yl)-4-sulfonatophenyl]azaniumylidene-9-(2-sulfonatophenyl)-7H-xanthen-7-ide-2-sulfonate;methanesulfonate;hexakis(sulfur trioxide) (PubChem CID 159630085) has the molecular formula C165H157N9Na16O65S20 and a molecular weight of 4315.25 g/mol. Its IUPAC name is hexadecasodium;6-[(3-acetamido-2,4,6-trimethylbenzene-5-id-1-yl)amino]-9-(2-sulfonatophenyl)-3-(2,3,4,6-tetramethyl-5-sulfonatophenyl)azaniumylidene-7H-xanthen-7-ide-2-sulfonate;6-(2,6-diethylanilino)-3-(2,6-diethylphenyl)azaniumylidene-9-(2-sulfonatophenyl)-7H-xanthen-7-ide-2-sulfonate;6-[(2,6-diethyl-4-methylbenzene-5-id-1-yl)amino]-3-(2,6-diethyl-4-methyl-3-sulfonatophenyl)azaniumylidene-9-(2-sulfonatophenyl)-7H-xanthen-7-ide-2-sulfonate;6-[2,6-di(propan-2-yl)-4-sulfonatoanilino]-3-[2,6-di(propan-2-yl)-4-sulfonatophenyl]azaniumylidene-9-(2-sulfonatophenyl)-7H-xanthen-7-ide-2-sulfonate;methanesulfonate;hexakis(sulfur trioxide).

Molecular Properties

Compound Namehexadecasodium;6-[(3-acetamido-2,4,6-trimethylbenzene-5-id-1-yl)amino]-9-(2-sulfonatophenyl)-3-(2,3,4,6-tetramethyl-5-sulfonatophenyl)azaniumylidene-7H-xanthen-7-ide-2-sulfonate;6-(2,6-diethylanilino)-3-(2,6-diethylphenyl)azaniumylidene-9-(2-sulfonatophenyl)-7H-xanthen-7-ide-2-sulfonate;6-[(2,6-diethyl-4-methylbenzene-5-id-1-yl)amino]-3-(2,6-diethyl-4-methyl-3-sulfonatophenyl)azaniumylidene-9-(2-sulfonatophenyl)-7H-xanthen-7-ide-2-sulfonate;6-[2,6-di(propan-2-yl)-4-sulfonatoanilino]-3-[2,6-di(propan-2-yl)-4-sulfonatophenyl]azaniumylidene-9-(2-sulfonatophenyl)-7H-xanthen-7-ide-2-sulfonate;methanesulfonate;hexakis(sulfur trioxide)
PubChem CID159630085
Molecular FormulaC165H157N9Na16O65S20
Molecular Weight4315.25 g/mol
Exact Mass4311.20
IUPAC Namehexadecasodium;6-[(3-acetamido-2,4,6-trimethylbenzene-5-id-1-yl)amino]-9-(2-sulfonatophenyl)-3-(2,3,4,6-tetramethyl-5-sulfonatophenyl)azaniumylidene-7H-xanthen-7-ide-2-sulfonate;6-(2,6-diethylanilino)-3-(2,6-diethylphenyl)azaniumylidene-9-(2-sulfonatophenyl)-7H-xanthen-7-ide-2-sulfonate;6-[(2,6-diethyl-4-methylbenzene-5-id-1-yl)amino]-3-(2,6-diethyl-4-methyl-3-sulfonatophenyl)azaniumylidene-9-(2-sulfonatophenyl)-7H-xanthen-7-ide-2-sulfonate;6-[2,6-di(propan-2-yl)-4-sulfonatoanilino]-3-[2,6-di(propan-2-yl)-4-sulfonatophenyl]azaniumylidene-9-(2-sulfonatophenyl)-7H-xanthen-7-ide-2-sulfonate;methanesulfonate;hexakis(sulfur trioxide)
SMILESCC(=O)Nc1c(C)[c-]c(C)c(Nc2[c-]cc3c(-c4ccccc4S(=O)(=O)[O-])c4cc(S(=O)(=O)[O-])/c(=[NH+]/c5c(C)c(C)c(C)c(S(=O)(=O)[O-])c5C)cc-4oc3c2)c1C.CC(C)c1cc(S(=O)(=O)[O-])cc(C(C)C)c1Nc1[c-]cc2c(-c3ccccc3S(=O)(=O)[O-])c3cc(S(=O)(=O)[O-])/c(=[NH+]/c4c(C(C)C)cc(S(=O)(=O)[O-])cc4C(C)C)cc-3oc2c1.CCc1[c-]c(C)cc(CC)c1Nc1[c-]cc2c(-c3ccccc3S(=O)(=O)[O-])c3cc(S(=O)(=O)[O-])/c(=[NH+]/c4c(CC)cc(C)c(S(=O)(=O)[O-])c4CC)cc-3oc2c1.CCc1cccc(CC)c1Nc1[c-]cc2c(-c3ccccc3S(=O)(=O)[O-])c3cc(S(=O)(=O)[O-])/c(=[NH+]/c4c(CC)cccc4CC)cc-3oc2c1.CS(=O)(=O)[O-].CS(=O)(=O)[O-].O=S(=O)=O.O=S(=O)=O.O=S(=O)=O.O=S(=O)=O.O=S(=O)=O.O=S(=O)=O.[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+]
InChIInChI=1S/C43H45N2O13S4.C41H40N2O10S3.C40H37N3O11S3.C39H37N2O7S2.2CH4O3S.16Na.6O3S/c1-22(2)31-16-27(59(46,47)48)17-32(23(3)4)42(31)44-26-13-14-29-37(15-26)58-38-21-36(45-43-33(24(5)6)18-28(60(49,50)51)19-34(43)25(7)8)40(62(55,56)57)20-35(38)41(29)30-11-9-10-12-39(30)61(52,53)54;1-7-25-17-23(5)18-26(8-2)39(25)42-28-15-16-30-34(20-28)53-35-22-33(43-40-27(9-3)19-24(6)41(29(40)10-4)56(50,51)52)37(55(47,48)49)21-32(35)38(30)31-13-11-12-14-36(31)54(44,45)46;1-19-15-20(2)38(24(6)37(19)41-26(8)44)42-27-13-14-28-32(16-27)54-33-18-31(43-39-22(4)21(3)23(5)40(25(39)7)57(51,52)53)35(56(48,49)50)17-30(33)36(28)29-11-9-10-12-34(29)55(45,46)47;1-5-24-13-11-14-25(6-2)38(24)40-28-19-20-29-33(21-28)48-34-23-32(41-39-26(7-3)15-12-16-27(39)8-4)36(50(45,46)47)22-31(34)37(29)30-17-9-10-18-35(30)49(42,43)44;2*1-5(2,3)4;;;;;;;;;;;;;;;;;6*1-4(2)3/h9-12,14-25,44H,1-8H3,(H,46,47,48)(H,49,50,51)(H,52,53,54)(H,55,56,57);11-14,16-17,19-22,42H,7-10H2,1-6H3,(H,44,45,46)(H,47,48,49)(H,50,51,52);9-12,14,16-18,42H,1-8H3,(H,41,44)(H,45,46,47)(H,48,49,50)(H,51,52,53);9-18,20-23,40H,5-8H2,1-4H3,(H,42,43,44)(H,45,46,47);2*1H3,(H,2,3,4);;;;;;;;;;;;;;;;;;;;;;/q-1;2*-2;-1;;;16*+1;;;;;;/p-10/b45-36+;43-33+;43-31+;41-32+;;;;;;;;;;;;;;;;;;;;;;;;
InChIKeyKWACIVLMOMIEND-PDUHRIAYSA-D
XLogP-33.22
TPSA1293.72 Ų
H-Bond Donors9
H-Bond Acceptors69
Rotatable Bonds41
Heavy Atoms275
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004315.25
LogP ≤ 5-33.22
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1069

Analyze hexadecasodium;6-[(3-acetamido-2,4,6-trimethylbenzene-5-id-1-yl)amino]-9-(2-sulfonatophenyl)-3-(2,3,4,6-tetramethyl-5-sulfonatophenyl)azaniumylidene-7H-xanthen-7-ide-2-sulfonate;6-(2,6-diethylanilino)-3-(2,6-diethylphenyl)azaniumylidene-9-(2-sulfonatophenyl)-7H-xanthen-7-ide-2-sulfonate;6-[(2,6-diethyl-4-methylbenzene-5-id-1-yl)amino]-3-(2,6-diethyl-4-methyl-3-sulfonatophenyl)azaniumylidene-9-(2-sulfonatophenyl)-7H-xanthen-7-ide-2-sulfonate;6-[2,6-di(propan-2-yl)-4-sulfonatoanilino]-3-[2,6-di(propan-2-yl)-4-sulfonatophenyl]azaniumylidene-9-(2-sulfonatophenyl)-7H-xanthen-7-ide-2-sulfonate;methanesulfonate;hexakis(sulfur trioxide) with MolForge

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Frequently Asked Questions

What is the IUPAC name of hexadecasodium;6-[(3-acetamido-2,4,6-trimethylbenzene-5-id-1-yl)amino]-9-(2-sulfonatophenyl)-3-(2,3,4,6-tetramethyl-5-sulfonatophenyl)azaniumylidene-7H-xanthen-7-ide-2-sulfonate;6-(2,6-diethylanilino)-3-(2,6-diethylphenyl)azaniumylidene-9-(2-sulfonatophenyl)-7H-xanthen-7-ide-2-sulfonate;6-[(2,6-diethyl-4-methylbenzene-5-id-1-yl)amino]-3-(2,6-diethyl-4-methyl-3-sulfonatophenyl)azaniumylidene-9-(2-sulfonatophenyl)-7H-xanthen-7-ide-2-sulfonate;6-[2,6-di(propan-2-yl)-4-sulfonatoanilino]-3-[2,6-di(propan-2-yl)-4-sulfonatophenyl]azaniumylidene-9-(2-sulfonatophenyl)-7H-xanthen-7-ide-2-sulfonate;methanesulfonate;hexakis(sulfur trioxide)?
The IUPAC name of hexadecasodium;6-[(3-acetamido-2,4,6-trimethylbenzene-5-id-1-yl)amino]-9-(2-sulfonatophenyl)-3-(2,3,4,6-tetramethyl-5-sulfonatophenyl)azaniumylidene-7H-xanthen-7-ide-2-sulfonate;6-(2,6-diethylanilino)-3-(2,6-diethylphenyl)azaniumylidene-9-(2-sulfonatophenyl)-7H-xanthen-7-ide-2-sulfonate;6-[(2,6-diethyl-4-methylbenzene-5-id-1-yl)amino]-3-(2,6-diethyl-4-methyl-3-sulfonatophenyl)azaniumylidene-9-(2-sulfonatophenyl)-7H-xanthen-7-ide-2-sulfonate;6-[2,6-di(propan-2-yl)-4-sulfonatoanilino]-3-[2,6-di(propan-2-yl)-4-sulfonatophenyl]azaniumylidene-9-(2-sulfonatophenyl)-7H-xanthen-7-ide-2-sulfonate;methanesulfonate;hexakis(sulfur trioxide) (CID 159630085) is hexadecasodium;6-[(3-acetamido-2,4,6-trimethylbenzene-5-id-1-yl)amino]-9-(2-sulfonatophenyl)-3-(2,3,4,6-tetramethyl-5-sulfonatophenyl)azaniumylidene-7H-xanthen-7-ide-2-sulfonate;6-(2,6-diethylanilino)-3-(2,6-diethylphenyl)azaniumylidene-9-(2-sulfonatophenyl)-7H-xanthen-7-ide-2-sulfonate;6-[(2,6-diethyl-4-methylbenzene-5-id-1-yl)amino]-3-(2,6-diethyl-4-methyl-3-sulfonatophenyl)azaniumylidene-9-(2-sulfonatophenyl)-7H-xanthen-7-ide-2-sulfonate;6-[2,6-di(propan-2-yl)-4-sulfonatoanilino]-3-[2,6-di(propan-2-yl)-4-sulfonatophenyl]azaniumylidene-9-(2-sulfonatophenyl)-7H-xanthen-7-ide-2-sulfonate;methanesulfonate;hexakis(sulfur trioxide).
What is the SMILES notation for hexadecasodium;6-[(3-acetamido-2,4,6-trimethylbenzene-5-id-1-yl)amino]-9-(2-sulfonatophenyl)-3-(2,3,4,6-tetramethyl-5-sulfonatophenyl)azaniumylidene-7H-xanthen-7-ide-2-sulfonate;6-(2,6-diethylanilino)-3-(2,6-diethylphenyl)azaniumylidene-9-(2-sulfonatophenyl)-7H-xanthen-7-ide-2-sulfonate;6-[(2,6-diethyl-4-methylbenzene-5-id-1-yl)amino]-3-(2,6-diethyl-4-methyl-3-sulfonatophenyl)azaniumylidene-9-(2-sulfonatophenyl)-7H-xanthen-7-ide-2-sulfonate;6-[2,6-di(propan-2-yl)-4-sulfonatoanilino]-3-[2,6-di(propan-2-yl)-4-sulfonatophenyl]azaniumylidene-9-(2-sulfonatophenyl)-7H-xanthen-7-ide-2-sulfonate;methanesulfonate;hexakis(sulfur trioxide)?
The canonical SMILES for hexadecasodium;6-[(3-acetamido-2,4,6-trimethylbenzene-5-id-1-yl)amino]-9-(2-sulfonatophenyl)-3-(2,3,4,6-tetramethyl-5-sulfonatophenyl)azaniumylidene-7H-xanthen-7-ide-2-sulfonate;6-(2,6-diethylanilino)-3-(2,6-diethylphenyl)azaniumylidene-9-(2-sulfonatophenyl)-7H-xanthen-7-ide-2-sulfonate;6-[(2,6-diethyl-4-methylbenzene-5-id-1-yl)amino]-3-(2,6-diethyl-4-methyl-3-sulfonatophenyl)azaniumylidene-9-(2-sulfonatophenyl)-7H-xanthen-7-ide-2-sulfonate;6-[2,6-di(propan-2-yl)-4-sulfonatoanilino]-3-[2,6-di(propan-2-yl)-4-sulfonatophenyl]azaniumylidene-9-(2-sulfonatophenyl)-7H-xanthen-7-ide-2-sulfonate;methanesulfonate;hexakis(sulfur trioxide) is CC(=O)Nc1c(C)[c-]c(C)c(Nc2[c-]cc3c(-c4ccccc4S(=O)(=O)[O-])c4cc(S(=O)(=O)[O-])/c(=[NH+]/c5c(C)c(C)c(C)c(S(=O)(=O)[O-])c5C)cc-4oc3c2)c1C.CC(C)c1cc(S(=O)(=O)[O-])cc(C(C)C)c1Nc1[c-]cc2c(-c3ccccc3S(=O)(=O)[O-])c3cc(S(=O)(=O)[O-])/c(=[NH+]/c4c(C(C)C)cc(S(=O)(=O)[O-])cc4C(C)C)cc-3oc2c1.CCc1[c-]c(C)cc(CC)c1Nc1[c-]cc2c(-c3ccccc3S(=O)(=O)[O-])c3cc(S(=O)(=O)[O-])/c(=[NH+]/c4c(CC)cc(C)c(S(=O)(=O)[O-])c4CC)cc-3oc2c1.CCc1cccc(CC)c1Nc1[c-]cc2c(-c3ccccc3S(=O)(=O)[O-])c3cc(S(=O)(=O)[O-])/c(=[NH+]/c4c(CC)cccc4CC)cc-3oc2c1.CS(=O)(=O)[O-].CS(=O)(=O)[O-].O=S(=O)=O.O=S(=O)=O.O=S(=O)=O.O=S(=O)=O.O=S(=O)=O.O=S(=O)=O.[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].
What is the InChIKey of hexadecasodium;6-[(3-acetamido-2,4,6-trimethylbenzene-5-id-1-yl)amino]-9-(2-sulfonatophenyl)-3-(2,3,4,6-tetramethyl-5-sulfonatophenyl)azaniumylidene-7H-xanthen-7-ide-2-sulfonate;6-(2,6-diethylanilino)-3-(2,6-diethylphenyl)azaniumylidene-9-(2-sulfonatophenyl)-7H-xanthen-7-ide-2-sulfonate;6-[(2,6-diethyl-4-methylbenzene-5-id-1-yl)amino]-3-(2,6-diethyl-4-methyl-3-sulfonatophenyl)azaniumylidene-9-(2-sulfonatophenyl)-7H-xanthen-7-ide-2-sulfonate;6-[2,6-di(propan-2-yl)-4-sulfonatoanilino]-3-[2,6-di(propan-2-yl)-4-sulfonatophenyl]azaniumylidene-9-(2-sulfonatophenyl)-7H-xanthen-7-ide-2-sulfonate;methanesulfonate;hexakis(sulfur trioxide)?
The InChIKey is KWACIVLMOMIEND-PDUHRIAYSA-D. The full InChI is InChI=1S/C43H45N2O13S4.C41H40N2O10S3.C40H37N3O11S3.C39H37N2O7S2.2CH4O3S.16Na.6O3S/c1-22(2)31-16-27(59(46,47)48)17-32(23(3)4)42(31)44-26-13-14-29-37(15-26)58-38-21-36(45-43-33(24(5)6)18-28(60(49,50)51)19-34(43)25(7)8)40(62(55,56)57)20-35(38)41(29)30-11-9-10-12-39(30)61(52,53)54;1-7-25-17-23(5)18-26(8-2)39(25)42-28-15-16-30-34(20-28)53-35-22-33(43-40-27(9-3)19-24(6)41(29(40)10-4)56(50,51)52)37(55(47,48)49)21-32(35)38(30)31-13-11-12-14-36(31)54(44,45)46;1-19-15-20(2)38(24(6)37(19)41-26(8)44)42-27-13-14-28-32(16-27)54-33-18-31(43-39-22(4)21(3)23(5)40(25(39)7)57(51,52)53)35(56(48,49)50)17-30(33)36(28)29-11-9-10-12-34(29)55(45,46)47;1-5-24-13-11-14-25(6-2)38(24)40-28-19-20-29-33(21-28)48-34-23-32(41-39-26(7-3)15-12-16-27(39)8-4)36(50(45,46)47)22-31(34)37(29)30-17-9-10-18-35(30)49(42,43)44;2*1-5(2,3)4;;;;;;;;;;;;;;;;;6*1-4(2)3/h9-12,14-25,44H,1-8H3,(H,46,47,48)(H,49,50,51)(H,52,53,54)(H,55,56,57);11-14,16-17,19-22,42H,7-10H2,1-6H3,(H,44,45,46)(H,47,48,49)(H,50,51,52);9-12,14,16-18,42H,1-8H3,(H,41,44)(H,45,46,47)(H,48,49,50)(H,51,52,53);9-18,20-23,40H,5-8H2,1-4H3,(H,42,43,44)(H,45,46,47);2*1H3,(H,2,3,4);;;;;;;;;;;;;;;;;;;;;;/q-1;2*-2;-1;;;16*+1;;;;;;/p-10/b45-36+;43-33+;43-31+;41-32+;;;;;;;;;;;;;;;;;;;;;;;;.
What are the key properties of hexadecasodium;6-[(3-acetamido-2,4,6-trimethylbenzene-5-id-1-yl)amino]-9-(2-sulfonatophenyl)-3-(2,3,4,6-tetramethyl-5-sulfonatophenyl)azaniumylidene-7H-xanthen-7-ide-2-sulfonate;6-(2,6-diethylanilino)-3-(2,6-diethylphenyl)azaniumylidene-9-(2-sulfonatophenyl)-7H-xanthen-7-ide-2-sulfonate;6-[(2,6-diethyl-4-methylbenzene-5-id-1-yl)amino]-3-(2,6-diethyl-4-methyl-3-sulfonatophenyl)azaniumylidene-9-(2-sulfonatophenyl)-7H-xanthen-7-ide-2-sulfonate;6-[2,6-di(propan-2-yl)-4-sulfonatoanilino]-3-[2,6-di(propan-2-yl)-4-sulfonatophenyl]azaniumylidene-9-(2-sulfonatophenyl)-7H-xanthen-7-ide-2-sulfonate;methanesulfonate;hexakis(sulfur trioxide)?
hexadecasodium;6-[(3-acetamido-2,4,6-trimethylbenzene-5-id-1-yl)amino]-9-(2-sulfonatophenyl)-3-(2,3,4,6-tetramethyl-5-sulfonatophenyl)azaniumylidene-7H-xanthen-7-ide-2-sulfonate;6-(2,6-diethylanilino)-3-(2,6-diethylphenyl)azaniumylidene-9-(2-sulfonatophenyl)-7H-xanthen-7-ide-2-sulfonate;6-[(2,6-diethyl-4-methylbenzene-5-id-1-yl)amino]-3-(2,6-diethyl-4-methyl-3-sulfonatophenyl)azaniumylidene-9-(2-sulfonatophenyl)-7H-xanthen-7-ide-2-sulfonate;6-[2,6-di(propan-2-yl)-4-sulfonatoanilino]-3-[2,6-di(propan-2-yl)-4-sulfonatophenyl]azaniumylidene-9-(2-sulfonatophenyl)-7H-xanthen-7-ide-2-sulfonate;methanesulfonate;hexakis(sulfur trioxide) has a molecular weight of 4315.25 g/mol, XLogP of -33.22, 41 rotatable bonds, 9 hydrogen bond donors, and 69 hydrogen bond acceptors.
Where does this data come from?
All data for hexadecasodium;6-[(3-acetamido-2,4,6-trimethylbenzene-5-id-1-yl)amino]-9-(2-sulfonatophenyl)-3-(2,3,4,6-tetramethyl-5-sulfonatophenyl)azaniumylidene-7H-xanthen-7-ide-2-sulfonate;6-(2,6-diethylanilino)-3-(2,6-diethylphenyl)azaniumylidene-9-(2-sulfonatophenyl)-7H-xanthen-7-ide-2-sulfonate;6-[(2,6-diethyl-4-methylbenzene-5-id-1-yl)amino]-3-(2,6-diethyl-4-methyl-3-sulfonatophenyl)azaniumylidene-9-(2-sulfonatophenyl)-7H-xanthen-7-ide-2-sulfonate;6-[2,6-di(propan-2-yl)-4-sulfonatoanilino]-3-[2,6-di(propan-2-yl)-4-sulfonatophenyl]azaniumylidene-9-(2-sulfonatophenyl)-7H-xanthen-7-ide-2-sulfonate;methanesulfonate;hexakis(sulfur trioxide) is sourced from PubChem (CID 159630085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).