N-[3-[benzyl(octyl)amino]-6-[3-[4-[benzyl(octyl)amino]-2-(butylamino)-6-hydroxyphenyl]-2-hydroxy-4-oxocyclobut-2-en-1-ylidene]-5-oxocyclohexa-1,3-dien-1-yl]butane-1-sulfonamide;3-[butyl-[2-(2-ethylhexoxy)ethyl]amino]-6-[3-[4-[butyl-[2-(2-ethylhexoxy)ethyl]amino]-2-hydroxy-6-propan-2-yloxyphenyl]-2-hydroxy-4-oxocyclobut-2-en-1-ylidene]-5-propan-2-yloxycyclohexa-2,4-dien-1-one;4-[2,6-dimethoxy-4-[(4-methoxyphenyl)-(4-methylphenyl)azaniumylidene]cyclohexa-2,5-dien-1-ylidene]-2-[4-(N-[4-(hydroxymethyl)phenyl]-4-methylanilino)-2,6-dimethoxyphenyl]-3-oxocyclobuten-1-olate;3-(dioctylamino)-6-[3-[4-(dioctylamino)-2-hydroxyphenyl]-2-hydroxy-4-oxocyclobut-2-en-1-ylidene]cyclohexa-2,4-dien-1-one;3-[N-ethyl-4-[3-[4-[ethyl(3-oxopentyl)amino]-2-methyl-6-oxocyclohexa-2,4-dien-1-ylidene]-2-hydroxy-4-oxocyclobuten-1-yl]-3-hydroxy-5-methylanilino]-N-octylpropanamide;2-ethylhexyl 2-[3-acetamido-4-[3-[6-acetylimino-4-[bis[2-(2-ethylhexoxy)-2-oxoethyl]amino]cyclohexa-2,4-dien-1-ylidene]-2-hydroxy-4-oxocyclobuten-1-yl]-N-[2-(2-ethylhexoxy)-2-oxoethyl]anilino]acetate;sulfur dioxide

C298H417N17O46S2 — CID 161158995

IUPACN-[3-[benzyl(octyl)amino]-6-[3-[4-[benzyl(octyl)amino]-2-(butylamino)-6-hydroxyphenyl]-2-hydroxy-4-oxocyclobut-2-en-1-ylidene]-5-oxocyclohexa-1,3-dien-1-yl]butane-1-sulfonamide;3-[butyl-[2-(2-ethylhexoxy)ethyl]amino]-6-[3-[4-[butyl-[2-(2-ethylhexoxy)ethyl]amino]-2-hydroxy-6-propan-2-yloxyphenyl]-2-hydroxy-4-oxocyclobut-2-en-1-ylidene]-5-propan-2-yloxycyclohexa-2,4-dien-1-one;4-[2,6-dimethoxy-4-[(4-methoxyphenyl)-(4-methylphenyl)azaniumylidene]cyclohexa-2,5-dien-1-ylidene]-2-[4-(N-[4-(hydroxymethyl)phenyl]-4-methylanilino)-2,6-dimethoxyphenyl]-3-oxocyclobuten-1-olate;3-(dioctylamino)-6-[3-[4-(dioctylamino)-2-hydroxyphenyl]-2-hydroxy-4-oxocyclobut-2-en-1-ylidene]cyclohexa-2,4-dien-1-one;3-[N-ethyl-4-[3-[4-[ethyl(3-oxopentyl)amino]-2-methyl-6-oxocyclohexa-2,4-dien-1-ylidene]-2-hydroxy-4-oxocyclobuten-1-yl]-3-hydroxy-5-methylanilino]-N-octylpropanamide;2-ethylhexyl 2-[3-acetamido-4-[3-[6-acetylimino-4-[bis[2-(2-ethylhexoxy)-2-oxoethyl]amino]cyclohexa-2,4-dien-1-ylidene]-2-hydroxy-4-oxocyclobuten-1-yl]-N-[2-(2-ethylhexoxy)-2-oxoethyl]anilino]acetate;sulfur dioxide
SMILESCCCCC(CC)COC(=O)CN(CC(=O)OCC(CC)CCCC)C1=C/C(=N\C(C)=O)C(=C2C(=O)C(c3ccc(N(CC(=O)OCC(CC)CCCC)CC(=O)OCC(CC)CCCC)cc3NC(C)=O)=C2O)C=C1.CCCCC(CC)COCCN(CCCC)C1=CC(=O)C(=C2C(=O)C(c3c(O)cc(N(CCCC)CCOCC(CC)CCCC)cc3OC(C)C)=C2O)C(OC(C)C)=C1.CCCCCCCCN(CCCCCCCC)C1=CC(=O)C(=C2C(=O)C(c3ccc(N(CCCCCCCC)CCCCCCCC)cc3O)=C2O)C=C1.CCCCCCCCN(Cc1ccccc1)C1=CC(=O)C(=C2C(=O)C(c3c(O)cc(N(CCCCCCCC)Cc4ccccc4)cc3NCCCC)=C2O)C(NS(=O)(=O)CCCC)=C1.CCCCCCCCNC(=O)CCN(CC)c1cc(C)c(C2=C(O)C(=C3C(=O)C=C(N(CC)CCC(=O)CC)C=C3C)C2=O)c(O)c1.COC1=CC(=[N+](c2ccc(C)cc2)c2ccc(OC)cc2)C=C(OC)C1=C1C(=O)C(c2c(OC)cc(N(c3ccc(C)cc3)c3ccc(CO)cc3)cc2OC)=C1[O-].O=S=O
InChIInChI=1S/C60H90N4O12.C54H74N4O6S.C50H80N2O8.C48H44N2O8.C48H76N2O4.C38H53N3O6.O2S/c1-11-19-23-43(15-5)37-73-53(67)33-63(34-54(68)74-38-44(16-6)24-20-12-2)47-27-29-49(51(31-47)61-41(9)65)57-59(71)58(60(57)72)50-30-28-48(32-52(50)62-42(10)66)64(35-55(69)75-39-45(17-7)25-21-13-3)36-56(70)76-40-46(18-8)26-22-14-4;1-5-9-13-15-17-25-32-57(39-41-27-21-19-22-28-41)43-35-45(55-31-11-7-3)49(47(59)37-43)51-53(61)52(54(51)62)50-46(56-65(63,64)34-12-8-4)36-44(38-48(50)60)58(33-26-18-16-14-10-6-2)40-42-29-23-20-24-30-42;1-11-17-21-37(15-5)33-57-27-25-51(23-19-13-3)39-29-41(53)45(43(31-39)59-35(7)8)47-49(55)48(50(47)56)46-42(54)30-40(32-44(46)60-36(9)10)52(24-20-14-4)26-28-58-34-38(16-6)22-18-12-2;1-29-8-14-32(15-9-29)49(34-18-12-31(28-51)13-19-34)36-24-39(55-4)43(40(25-36)56-5)45-47(52)46(48(45)53)44-41(57-6)26-37(27-42(44)58-7)50(33-16-10-30(2)11-17-33)35-20-22-38(54-3)23-21-35;1-5-9-13-17-21-25-33-49(34-26-22-18-14-10-6-2)39-29-31-41(43(51)37-39)45-47(53)46(48(45)54)42-32-30-40(38-44(42)52)50(35-27-23-19-15-11-7-3)36-28-24-20-16-12-8-4;1-7-11-12-13-14-15-18-39-32(45)17-20-41(10-4)28-22-26(6)34(31(44)24-28)36-37(46)35(38(36)47)33-25(5)21-27(23-30(33)43)40(9-3)19-16-29(42)8-2;1-3-2/h27-32,43-46,71H,11-26,33-40H2,1-10H3,(H,61,65);19-24,27-30,35-38,55-56,59,61H,5-18,25-26,31-34,39-40H2,1-4H3;29-32,35-38,53,55H,11-28,33-34H2,1-10H3;8-27,51H,28H2,1-7H3;29-32,37-38,51,53H,5-28,33-36H2,1-4H3;21-24,44,46H,7-20H2,1-6H3,(H,39,45);/b58-50?,62-52+;;;;;;
InChIKeyNTTGJDCTWFLLCJ-VSPGOSENSA-N
MW5037.82 g/mol
LogP62.09
Rot. Bonds159

About N-[3-[benzyl(octyl)amino]-6-[3-[4-[benzyl(octyl)amino]-2-(butylamino)-6-hydroxyphenyl]-2-hydroxy-4-oxocyclobut-2-en-1-ylidene]-5-oxocyclohexa-1,3-dien-1-yl]butane-1-sulfonamide;3-[butyl-[2-(2-ethylhexoxy)ethyl]amino]-6-[3-[4-[butyl-[2-(2-ethylhexoxy)ethyl]amino]-2-hydroxy-6-propan-2-yloxyphenyl]-2-hydroxy-4-oxocyclobut-2-en-1-ylidene]-5-propan-2-yloxycyclohexa-2,4-dien-1-one;4-[2,6-dimethoxy-4-[(4-methoxyphenyl)-(4-methylphenyl)azaniumylidene]cyclohexa-2,5-dien-1-ylidene]-2-[4-(N-[4-(hydroxymethyl)phenyl]-4-methylanilino)-2,6-dimethoxyphenyl]-3-oxocyclobuten-1-olate;3-(dioctylamino)-6-[3-[4-(dioctylamino)-2-hydroxyphenyl]-2-hydroxy-4-oxocyclobut-2-en-1-ylidene]cyclohexa-2,4-dien-1-one;3-[N-ethyl-4-[3-[4-[ethyl(3-oxopentyl)amino]-2-methyl-6-oxocyclohexa-2,4-dien-1-ylidene]-2-hydroxy-4-oxocyclobuten-1-yl]-3-hydroxy-5-methylanilino]-N-octylpropanamide;2-ethylhexyl 2-[3-acetamido-4-[3-[6-acetylimino-4-[bis[2-(2-ethylhexoxy)-2-oxoethyl]amino]cyclohexa-2,4-dien-1-ylidene]-2-hydroxy-4-oxocyclobuten-1-yl]-N-[2-(2-ethylhexoxy)-2-oxoethyl]anilino]acetate;sulfur dioxide

N-[3-[benzyl(octyl)amino]-6-[3-[4-[benzyl(octyl)amino]-2-(butylamino)-6-hydroxyphenyl]-2-hydroxy-4-oxocyclobut-2-en-1-ylidene]-5-oxocyclohexa-1,3-dien-1-yl]butane-1-sulfonamide;3-[butyl-[2-(2-ethylhexoxy)ethyl]amino]-6-[3-[4-[butyl-[2-(2-ethylhexoxy)ethyl]amino]-2-hydroxy-6-propan-2-yloxyphenyl]-2-hydroxy-4-oxocyclobut-2-en-1-ylidene]-5-propan-2-yloxycyclohexa-2,4-dien-1-one;4-[2,6-dimethoxy-4-[(4-methoxyphenyl)-(4-methylphenyl)azaniumylidene]cyclohexa-2,5-dien-1-ylidene]-2-[4-(N-[4-(hydroxymethyl)phenyl]-4-methylanilino)-2,6-dimethoxyphenyl]-3-oxocyclobuten-1-olate;3-(dioctylamino)-6-[3-[4-(dioctylamino)-2-hydroxyphenyl]-2-hydroxy-4-oxocyclobut-2-en-1-ylidene]cyclohexa-2,4-dien-1-one;3-[N-ethyl-4-[3-[4-[ethyl(3-oxopentyl)amino]-2-methyl-6-oxocyclohexa-2,4-dien-1-ylidene]-2-hydroxy-4-oxocyclobuten-1-yl]-3-hydroxy-5-methylanilino]-N-octylpropanamide;2-ethylhexyl 2-[3-acetamido-4-[3-[6-acetylimino-4-[bis[2-(2-ethylhexoxy)-2-oxoethyl]amino]cyclohexa-2,4-dien-1-ylidene]-2-hydroxy-4-oxocyclobuten-1-yl]-N-[2-(2-ethylhexoxy)-2-oxoethyl]anilino]acetate;sulfur dioxide (PubChem CID 161158995) has the molecular formula C298H417N17O46S2 and a molecular weight of 5037.82 g/mol. Its IUPAC name is N-[3-[benzyl(octyl)amino]-6-[3-[4-[benzyl(octyl)amino]-2-(butylamino)-6-hydroxyphenyl]-2-hydroxy-4-oxocyclobut-2-en-1-ylidene]-5-oxocyclohexa-1,3-dien-1-yl]butane-1-sulfonamide;3-[butyl-[2-(2-ethylhexoxy)ethyl]amino]-6-[3-[4-[butyl-[2-(2-ethylhexoxy)ethyl]amino]-2-hydroxy-6-propan-2-yloxyphenyl]-2-hydroxy-4-oxocyclobut-2-en-1-ylidene]-5-propan-2-yloxycyclohexa-2,4-dien-1-one;4-[2,6-dimethoxy-4-[(4-methoxyphenyl)-(4-methylphenyl)azaniumylidene]cyclohexa-2,5-dien-1-ylidene]-2-[4-(N-[4-(hydroxymethyl)phenyl]-4-methylanilino)-2,6-dimethoxyphenyl]-3-oxocyclobuten-1-olate;3-(dioctylamino)-6-[3-[4-(dioctylamino)-2-hydroxyphenyl]-2-hydroxy-4-oxocyclobut-2-en-1-ylidene]cyclohexa-2,4-dien-1-one;3-[N-ethyl-4-[3-[4-[ethyl(3-oxopentyl)amino]-2-methyl-6-oxocyclohexa-2,4-dien-1-ylidene]-2-hydroxy-4-oxocyclobuten-1-yl]-3-hydroxy-5-methylanilino]-N-octylpropanamide;2-ethylhexyl 2-[3-acetamido-4-[3-[6-acetylimino-4-[bis[2-(2-ethylhexoxy)-2-oxoethyl]amino]cyclohexa-2,4-dien-1-ylidene]-2-hydroxy-4-oxocyclobuten-1-yl]-N-[2-(2-ethylhexoxy)-2-oxoethyl]anilino]acetate;sulfur dioxide.

Molecular Properties

Compound NameN-[3-[benzyl(octyl)amino]-6-[3-[4-[benzyl(octyl)amino]-2-(butylamino)-6-hydroxyphenyl]-2-hydroxy-4-oxocyclobut-2-en-1-ylidene]-5-oxocyclohexa-1,3-dien-1-yl]butane-1-sulfonamide;3-[butyl-[2-(2-ethylhexoxy)ethyl]amino]-6-[3-[4-[butyl-[2-(2-ethylhexoxy)ethyl]amino]-2-hydroxy-6-propan-2-yloxyphenyl]-2-hydroxy-4-oxocyclobut-2-en-1-ylidene]-5-propan-2-yloxycyclohexa-2,4-dien-1-one;4-[2,6-dimethoxy-4-[(4-methoxyphenyl)-(4-methylphenyl)azaniumylidene]cyclohexa-2,5-dien-1-ylidene]-2-[4-(N-[4-(hydroxymethyl)phenyl]-4-methylanilino)-2,6-dimethoxyphenyl]-3-oxocyclobuten-1-olate;3-(dioctylamino)-6-[3-[4-(dioctylamino)-2-hydroxyphenyl]-2-hydroxy-4-oxocyclobut-2-en-1-ylidene]cyclohexa-2,4-dien-1-one;3-[N-ethyl-4-[3-[4-[ethyl(3-oxopentyl)amino]-2-methyl-6-oxocyclohexa-2,4-dien-1-ylidene]-2-hydroxy-4-oxocyclobuten-1-yl]-3-hydroxy-5-methylanilino]-N-octylpropanamide;2-ethylhexyl 2-[3-acetamido-4-[3-[6-acetylimino-4-[bis[2-(2-ethylhexoxy)-2-oxoethyl]amino]cyclohexa-2,4-dien-1-ylidene]-2-hydroxy-4-oxocyclobuten-1-yl]-N-[2-(2-ethylhexoxy)-2-oxoethyl]anilino]acetate;sulfur dioxide
PubChem CID161158995
Molecular FormulaC298H417N17O46S2
Molecular Weight5037.82 g/mol
Exact Mass5034.03
IUPAC NameN-[3-[benzyl(octyl)amino]-6-[3-[4-[benzyl(octyl)amino]-2-(butylamino)-6-hydroxyphenyl]-2-hydroxy-4-oxocyclobut-2-en-1-ylidene]-5-oxocyclohexa-1,3-dien-1-yl]butane-1-sulfonamide;3-[butyl-[2-(2-ethylhexoxy)ethyl]amino]-6-[3-[4-[butyl-[2-(2-ethylhexoxy)ethyl]amino]-2-hydroxy-6-propan-2-yloxyphenyl]-2-hydroxy-4-oxocyclobut-2-en-1-ylidene]-5-propan-2-yloxycyclohexa-2,4-dien-1-one;4-[2,6-dimethoxy-4-[(4-methoxyphenyl)-(4-methylphenyl)azaniumylidene]cyclohexa-2,5-dien-1-ylidene]-2-[4-(N-[4-(hydroxymethyl)phenyl]-4-methylanilino)-2,6-dimethoxyphenyl]-3-oxocyclobuten-1-olate;3-(dioctylamino)-6-[3-[4-(dioctylamino)-2-hydroxyphenyl]-2-hydroxy-4-oxocyclobut-2-en-1-ylidene]cyclohexa-2,4-dien-1-one;3-[N-ethyl-4-[3-[4-[ethyl(3-oxopentyl)amino]-2-methyl-6-oxocyclohexa-2,4-dien-1-ylidene]-2-hydroxy-4-oxocyclobuten-1-yl]-3-hydroxy-5-methylanilino]-N-octylpropanamide;2-ethylhexyl 2-[3-acetamido-4-[3-[6-acetylimino-4-[bis[2-(2-ethylhexoxy)-2-oxoethyl]amino]cyclohexa-2,4-dien-1-ylidene]-2-hydroxy-4-oxocyclobuten-1-yl]-N-[2-(2-ethylhexoxy)-2-oxoethyl]anilino]acetate;sulfur dioxide
SMILESCCCCC(CC)COC(=O)CN(CC(=O)OCC(CC)CCCC)C1=C/C(=N\C(C)=O)C(=C2C(=O)C(c3ccc(N(CC(=O)OCC(CC)CCCC)CC(=O)OCC(CC)CCCC)cc3NC(C)=O)=C2O)C=C1.CCCCC(CC)COCCN(CCCC)C1=CC(=O)C(=C2C(=O)C(c3c(O)cc(N(CCCC)CCOCC(CC)CCCC)cc3OC(C)C)=C2O)C(OC(C)C)=C1.CCCCCCCCN(CCCCCCCC)C1=CC(=O)C(=C2C(=O)C(c3ccc(N(CCCCCCCC)CCCCCCCC)cc3O)=C2O)C=C1.CCCCCCCCN(Cc1ccccc1)C1=CC(=O)C(=C2C(=O)C(c3c(O)cc(N(CCCCCCCC)Cc4ccccc4)cc3NCCCC)=C2O)C(NS(=O)(=O)CCCC)=C1.CCCCCCCCNC(=O)CCN(CC)c1cc(C)c(C2=C(O)C(=C3C(=O)C=C(N(CC)CCC(=O)CC)C=C3C)C2=O)c(O)c1.COC1=CC(=[N+](c2ccc(C)cc2)c2ccc(OC)cc2)C=C(OC)C1=C1C(=O)C(c2c(OC)cc(N(c3ccc(C)cc3)c3ccc(CO)cc3)cc2OC)=C1[O-].O=S=O
InChIInChI=1S/C60H90N4O12.C54H74N4O6S.C50H80N2O8.C48H44N2O8.C48H76N2O4.C38H53N3O6.O2S/c1-11-19-23-43(15-5)37-73-53(67)33-63(34-54(68)74-38-44(16-6)24-20-12-2)47-27-29-49(51(31-47)61-41(9)65)57-59(71)58(60(57)72)50-30-28-48(32-52(50)62-42(10)66)64(35-55(69)75-39-45(17-7)25-21-13-3)36-56(70)76-40-46(18-8)26-22-14-4;1-5-9-13-15-17-25-32-57(39-41-27-21-19-22-28-41)43-35-45(55-31-11-7-3)49(47(59)37-43)51-53(61)52(54(51)62)50-46(56-65(63,64)34-12-8-4)36-44(38-48(50)60)58(33-26-18-16-14-10-6-2)40-42-29-23-20-24-30-42;1-11-17-21-37(15-5)33-57-27-25-51(23-19-13-3)39-29-41(53)45(43(31-39)59-35(7)8)47-49(55)48(50(47)56)46-42(54)30-40(32-44(46)60-36(9)10)52(24-20-14-4)26-28-58-34-38(16-6)22-18-12-2;1-29-8-14-32(15-9-29)49(34-18-12-31(28-51)13-19-34)36-24-39(55-4)43(40(25-36)56-5)45-47(52)46(48(45)53)44-41(57-6)26-37(27-42(44)58-7)50(33-16-10-30(2)11-17-33)35-20-22-38(54-3)23-21-35;1-5-9-13-17-21-25-33-49(34-26-22-18-14-10-6-2)39-29-31-41(43(51)37-39)45-47(53)46(48(45)54)42-32-30-40(38-44(42)52)50(35-27-23-19-15-11-7-3)36-28-24-20-16-12-8-4;1-7-11-12-13-14-15-18-39-32(45)17-20-41(10-4)28-22-26(6)34(31(44)24-28)36-37(46)35(38(36)47)33-25(5)21-27(23-30(33)43)40(9-3)19-16-29(42)8-2;1-3-2/h27-32,43-46,71H,11-26,33-40H2,1-10H3,(H,61,65);19-24,27-30,35-38,55-56,59,61H,5-18,25-26,31-34,39-40H2,1-4H3;29-32,35-38,53,55H,11-28,33-34H2,1-10H3;8-27,51H,28H2,1-7H3;29-32,37-38,51,53H,5-28,33-36H2,1-4H3;21-24,44,46H,7-20H2,1-6H3,(H,39,45);/b58-50?,62-52+;;;;;;
InChIKeyNTTGJDCTWFLLCJ-VSPGOSENSA-N
XLogP62.09
TPSA820.02 Ų
H-Bond Donors14
H-Bond Acceptors58
Rotatable Bonds159
Heavy Atoms363
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5005037.82
LogP ≤ 562.09
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1058

Analyze N-[3-[benzyl(octyl)amino]-6-[3-[4-[benzyl(octyl)amino]-2-(butylamino)-6-hydroxyphenyl]-2-hydroxy-4-oxocyclobut-2-en-1-ylidene]-5-oxocyclohexa-1,3-dien-1-yl]butane-1-sulfonamide;3-[butyl-[2-(2-ethylhexoxy)ethyl]amino]-6-[3-[4-[butyl-[2-(2-ethylhexoxy)ethyl]amino]-2-hydroxy-6-propan-2-yloxyphenyl]-2-hydroxy-4-oxocyclobut-2-en-1-ylidene]-5-propan-2-yloxycyclohexa-2,4-dien-1-one;4-[2,6-dimethoxy-4-[(4-methoxyphenyl)-(4-methylphenyl)azaniumylidene]cyclohexa-2,5-dien-1-ylidene]-2-[4-(N-[4-(hydroxymethyl)phenyl]-4-methylanilino)-2,6-dimethoxyphenyl]-3-oxocyclobuten-1-olate;3-(dioctylamino)-6-[3-[4-(dioctylamino)-2-hydroxyphenyl]-2-hydroxy-4-oxocyclobut-2-en-1-ylidene]cyclohexa-2,4-dien-1-one;3-[N-ethyl-4-[3-[4-[ethyl(3-oxopentyl)amino]-2-methyl-6-oxocyclohexa-2,4-dien-1-ylidene]-2-hydroxy-4-oxocyclobuten-1-yl]-3-hydroxy-5-methylanilino]-N-octylpropanamide;2-ethylhexyl 2-[3-acetamido-4-[3-[6-acetylimino-4-[bis[2-(2-ethylhexoxy)-2-oxoethyl]amino]cyclohexa-2,4-dien-1-ylidene]-2-hydroxy-4-oxocyclobuten-1-yl]-N-[2-(2-ethylhexoxy)-2-oxoethyl]anilino]acetate;sulfur dioxide with MolForge

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Related Compounds

[4-[3-[4-(dinaphthalen-2-ylamino)-2-[3-(2-ethylhexoxycarbonylamino)propanoylamino]phenyl]-2-hydroxy-4-oxocyclobut-2-en-1-ylidene]-3-[3-(2-ethylhexoxycarbonylamino)propanoylamino]cyclohexa-2,5-dien-1-ylidene]-dinaphthalen-2-ylazanium
CID 176540321
ethyl-[4-[3-[4-[ethyl(3-oxopentyl)amino]-2-hydroxy-6-methylphenyl]-2-hydroxy-4-oxocyclobut-2-en-1-ylidene]-3-hydroxy-5-methylcyclohexa-2,5-dien-1-ylidene]-[3-(octylamino)-3-oxopropyl]azanium
CID 173464870
[(4E)-3-(3-ethylheptanoylamino)-4-[3-[2-(3-ethylheptanoylamino)-4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-2-hydroxy-4-oxocyclobut-2-en-1-ylidene]cyclohexa-2,5-dien-1-ylidene]-bis(4-methylphenyl)azanium
CID 140934740
N-[3-[5-[(3Z)-3-[1-(3-acetamidophenyl)-2-hydroxy-4,6-dioxopyrimidin-5-ylidene]-2-hydroxy-4-oxocyclobuten-1-yl]-6-hydroxy-2,4-dioxopyrimidin-1-yl]phenyl]acetamide;2-[6-tert-butyl-2-[4-(octylsulfonylamino)phenyl]-1H-pyrazolo[1,5-b][1,2,4]triazol-7-yl]-4-[3-(2,6-ditert-butyl-4-methylcyclohexyl)oxycarbonyl-4-(2,2-dimethylbutanoylamino)-2-phenylcyclopenta-2,4-dien-1-ylidene]-3-oxocyclobuten-1-olate;(2,6-ditert-butyl-4-methylcyclohexyl) 5-[3-[3-(2,6-ditert-butyl-4-methylcyclohexyl)oxycarbonyl-4-(2,2-dimethylbutanoylimino)-2-propan-2-ylcyclopent-2-en-1-ylidene]-2-hydroxy-4-oxocyclobuten-1-yl]-2-(2,2-dimethylbutanoylamino)-4-propan-2-yl-1H-pyrrole-3-carboxylate;3-(dipropylamino)-6-[3-[4-(dipropylamino)-2-(2-ethylhexoxy)-6-hydroxyphenyl]-2-hydroxy-4-oxocyclobut-2-en-1-ylidene]-5-(2-ethylhexoxy)cyclohexa-2,4-dien-1-one
CID 167687892
[3-(2-ethylhexanoylamino)-4-[3-[2-(2-ethylhexanoylamino)-4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-2-hydroxy-4-oxocyclobut-2-en-1-ylidene]cyclohexa-2,5-dien-1-ylidene]-bis(4-methylphenyl)azanium
CID 157290007
2-[4-[bis(2-ethylhexyl)amino]-2-(2,2-dimethylbutanoylamino)phenyl]-4-[4-bis(4-methylphenyl)azaniumylidene-2-(2,2-dimethylbutanoylamino)cyclohexa-2,5-dien-1-ylidene]-3-oxocyclobuten-1-olate
CID 169045390
4-[4-bis(4-methylphenyl)azaniumylidene-2-(3-ethylheptanoylamino)cyclohexa-2,5-dien-1-ylidene]-2-[2-(3-ethylheptanoylamino)-4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-3-oxocyclobuten-1-olate;3-ethyl-N-[5-[3-[6-(3-ethylheptanoylimino)-1,2,3,3-tetramethyl-2H-indol-5-ylidene]-2-hydroxy-4-oxocyclobuten-1-yl]-1,2,3,3-tetramethyl-2H-indol-6-yl]heptanamide;2-[3-[4-(2-ethylhexoxy)phenyl]-2,4-diaza-3-boratricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaen-6-yl]-4-[3-[4-(2-ethylhexoxy)phenyl]-2,4-diaza-3-boratricyclo[7.3.1.05,13]trideca-1(12),4,7,9(13),10-pentaen-6-ylidene]-3-hydroxycyclobut-2-en-1-one
CID 158042629
3-(dipropylamino)-6-[3-[4-(dipropylamino)-2-(2-ethylhexoxy)-6-hydroxyphenyl]-2-hydroxy-4-oxocyclobut-2-en-1-ylidene]-5-(2-ethylhexoxy)cyclohexa-2,4-dien-1-one
CID 158568802
[3-(2,2-dimethylpropanoylamino)-4-[3-[2-(2,2-dimethylpropanoylamino)-4-[N-(2-hexyldecyl)-4-methoxyanilino]phenyl]-2-hydroxy-4-oxocyclobut-2-en-1-ylidene]cyclohexa-2,5-dien-1-ylidene]-(2-hexyldecyl)-(4-methylphenyl)azanium
CID 176545601
methyl 3-[4-[(3E)-3-[4-[bis(3-methoxy-3-oxopropyl)amino]-6-oxocyclohexa-2,4-dien-1-ylidene]-2-hydroxy-4-oxocyclobuten-1-yl]-3-hydroxy-N-(3-methoxy-3-oxopropyl)anilino]propanoate
CID 71732715
4-[4-diphenylazaniumylidene-2-(2-ethylhexanoylamino)cyclohexa-2,5-dien-1-ylidene]-2-[2-(2-ethylhexanoylamino)-4-(N-phenylanilino)phenyl]-3-oxocyclobuten-1-olate
CID 137295886
3-[4-[bis(2-hexyldecyl)amino]-2-hydroxyphenyl]-5-[4-[bis(2-hexyldecyl)amino]-6-oxocyclohexa-2,4-dien-1-ylidene]-4-hydroxycyclopent-3-ene-1,2-dione
CID 74009653

Frequently Asked Questions

What is the IUPAC name of N-[3-[benzyl(octyl)amino]-6-[3-[4-[benzyl(octyl)amino]-2-(butylamino)-6-hydroxyphenyl]-2-hydroxy-4-oxocyclobut-2-en-1-ylidene]-5-oxocyclohexa-1,3-dien-1-yl]butane-1-sulfonamide;3-[butyl-[2-(2-ethylhexoxy)ethyl]amino]-6-[3-[4-[butyl-[2-(2-ethylhexoxy)ethyl]amino]-2-hydroxy-6-propan-2-yloxyphenyl]-2-hydroxy-4-oxocyclobut-2-en-1-ylidene]-5-propan-2-yloxycyclohexa-2,4-dien-1-one;4-[2,6-dimethoxy-4-[(4-methoxyphenyl)-(4-methylphenyl)azaniumylidene]cyclohexa-2,5-dien-1-ylidene]-2-[4-(N-[4-(hydroxymethyl)phenyl]-4-methylanilino)-2,6-dimethoxyphenyl]-3-oxocyclobuten-1-olate;3-(dioctylamino)-6-[3-[4-(dioctylamino)-2-hydroxyphenyl]-2-hydroxy-4-oxocyclobut-2-en-1-ylidene]cyclohexa-2,4-dien-1-one;3-[N-ethyl-4-[3-[4-[ethyl(3-oxopentyl)amino]-2-methyl-6-oxocyclohexa-2,4-dien-1-ylidene]-2-hydroxy-4-oxocyclobuten-1-yl]-3-hydroxy-5-methylanilino]-N-octylpropanamide;2-ethylhexyl 2-[3-acetamido-4-[3-[6-acetylimino-4-[bis[2-(2-ethylhexoxy)-2-oxoethyl]amino]cyclohexa-2,4-dien-1-ylidene]-2-hydroxy-4-oxocyclobuten-1-yl]-N-[2-(2-ethylhexoxy)-2-oxoethyl]anilino]acetate;sulfur dioxide?
The IUPAC name of N-[3-[benzyl(octyl)amino]-6-[3-[4-[benzyl(octyl)amino]-2-(butylamino)-6-hydroxyphenyl]-2-hydroxy-4-oxocyclobut-2-en-1-ylidene]-5-oxocyclohexa-1,3-dien-1-yl]butane-1-sulfonamide;3-[butyl-[2-(2-ethylhexoxy)ethyl]amino]-6-[3-[4-[butyl-[2-(2-ethylhexoxy)ethyl]amino]-2-hydroxy-6-propan-2-yloxyphenyl]-2-hydroxy-4-oxocyclobut-2-en-1-ylidene]-5-propan-2-yloxycyclohexa-2,4-dien-1-one;4-[2,6-dimethoxy-4-[(4-methoxyphenyl)-(4-methylphenyl)azaniumylidene]cyclohexa-2,5-dien-1-ylidene]-2-[4-(N-[4-(hydroxymethyl)phenyl]-4-methylanilino)-2,6-dimethoxyphenyl]-3-oxocyclobuten-1-olate;3-(dioctylamino)-6-[3-[4-(dioctylamino)-2-hydroxyphenyl]-2-hydroxy-4-oxocyclobut-2-en-1-ylidene]cyclohexa-2,4-dien-1-one;3-[N-ethyl-4-[3-[4-[ethyl(3-oxopentyl)amino]-2-methyl-6-oxocyclohexa-2,4-dien-1-ylidene]-2-hydroxy-4-oxocyclobuten-1-yl]-3-hydroxy-5-methylanilino]-N-octylpropanamide;2-ethylhexyl 2-[3-acetamido-4-[3-[6-acetylimino-4-[bis[2-(2-ethylhexoxy)-2-oxoethyl]amino]cyclohexa-2,4-dien-1-ylidene]-2-hydroxy-4-oxocyclobuten-1-yl]-N-[2-(2-ethylhexoxy)-2-oxoethyl]anilino]acetate;sulfur dioxide (CID 161158995) is N-[3-[benzyl(octyl)amino]-6-[3-[4-[benzyl(octyl)amino]-2-(butylamino)-6-hydroxyphenyl]-2-hydroxy-4-oxocyclobut-2-en-1-ylidene]-5-oxocyclohexa-1,3-dien-1-yl]butane-1-sulfonamide;3-[butyl-[2-(2-ethylhexoxy)ethyl]amino]-6-[3-[4-[butyl-[2-(2-ethylhexoxy)ethyl]amino]-2-hydroxy-6-propan-2-yloxyphenyl]-2-hydroxy-4-oxocyclobut-2-en-1-ylidene]-5-propan-2-yloxycyclohexa-2,4-dien-1-one;4-[2,6-dimethoxy-4-[(4-methoxyphenyl)-(4-methylphenyl)azaniumylidene]cyclohexa-2,5-dien-1-ylidene]-2-[4-(N-[4-(hydroxymethyl)phenyl]-4-methylanilino)-2,6-dimethoxyphenyl]-3-oxocyclobuten-1-olate;3-(dioctylamino)-6-[3-[4-(dioctylamino)-2-hydroxyphenyl]-2-hydroxy-4-oxocyclobut-2-en-1-ylidene]cyclohexa-2,4-dien-1-one;3-[N-ethyl-4-[3-[4-[ethyl(3-oxopentyl)amino]-2-methyl-6-oxocyclohexa-2,4-dien-1-ylidene]-2-hydroxy-4-oxocyclobuten-1-yl]-3-hydroxy-5-methylanilino]-N-octylpropanamide;2-ethylhexyl 2-[3-acetamido-4-[3-[6-acetylimino-4-[bis[2-(2-ethylhexoxy)-2-oxoethyl]amino]cyclohexa-2,4-dien-1-ylidene]-2-hydroxy-4-oxocyclobuten-1-yl]-N-[2-(2-ethylhexoxy)-2-oxoethyl]anilino]acetate;sulfur dioxide.
What is the SMILES notation for N-[3-[benzyl(octyl)amino]-6-[3-[4-[benzyl(octyl)amino]-2-(butylamino)-6-hydroxyphenyl]-2-hydroxy-4-oxocyclobut-2-en-1-ylidene]-5-oxocyclohexa-1,3-dien-1-yl]butane-1-sulfonamide;3-[butyl-[2-(2-ethylhexoxy)ethyl]amino]-6-[3-[4-[butyl-[2-(2-ethylhexoxy)ethyl]amino]-2-hydroxy-6-propan-2-yloxyphenyl]-2-hydroxy-4-oxocyclobut-2-en-1-ylidene]-5-propan-2-yloxycyclohexa-2,4-dien-1-one;4-[2,6-dimethoxy-4-[(4-methoxyphenyl)-(4-methylphenyl)azaniumylidene]cyclohexa-2,5-dien-1-ylidene]-2-[4-(N-[4-(hydroxymethyl)phenyl]-4-methylanilino)-2,6-dimethoxyphenyl]-3-oxocyclobuten-1-olate;3-(dioctylamino)-6-[3-[4-(dioctylamino)-2-hydroxyphenyl]-2-hydroxy-4-oxocyclobut-2-en-1-ylidene]cyclohexa-2,4-dien-1-one;3-[N-ethyl-4-[3-[4-[ethyl(3-oxopentyl)amino]-2-methyl-6-oxocyclohexa-2,4-dien-1-ylidene]-2-hydroxy-4-oxocyclobuten-1-yl]-3-hydroxy-5-methylanilino]-N-octylpropanamide;2-ethylhexyl 2-[3-acetamido-4-[3-[6-acetylimino-4-[bis[2-(2-ethylhexoxy)-2-oxoethyl]amino]cyclohexa-2,4-dien-1-ylidene]-2-hydroxy-4-oxocyclobuten-1-yl]-N-[2-(2-ethylhexoxy)-2-oxoethyl]anilino]acetate;sulfur dioxide?
The canonical SMILES for N-[3-[benzyl(octyl)amino]-6-[3-[4-[benzyl(octyl)amino]-2-(butylamino)-6-hydroxyphenyl]-2-hydroxy-4-oxocyclobut-2-en-1-ylidene]-5-oxocyclohexa-1,3-dien-1-yl]butane-1-sulfonamide;3-[butyl-[2-(2-ethylhexoxy)ethyl]amino]-6-[3-[4-[butyl-[2-(2-ethylhexoxy)ethyl]amino]-2-hydroxy-6-propan-2-yloxyphenyl]-2-hydroxy-4-oxocyclobut-2-en-1-ylidene]-5-propan-2-yloxycyclohexa-2,4-dien-1-one;4-[2,6-dimethoxy-4-[(4-methoxyphenyl)-(4-methylphenyl)azaniumylidene]cyclohexa-2,5-dien-1-ylidene]-2-[4-(N-[4-(hydroxymethyl)phenyl]-4-methylanilino)-2,6-dimethoxyphenyl]-3-oxocyclobuten-1-olate;3-(dioctylamino)-6-[3-[4-(dioctylamino)-2-hydroxyphenyl]-2-hydroxy-4-oxocyclobut-2-en-1-ylidene]cyclohexa-2,4-dien-1-one;3-[N-ethyl-4-[3-[4-[ethyl(3-oxopentyl)amino]-2-methyl-6-oxocyclohexa-2,4-dien-1-ylidene]-2-hydroxy-4-oxocyclobuten-1-yl]-3-hydroxy-5-methylanilino]-N-octylpropanamide;2-ethylhexyl 2-[3-acetamido-4-[3-[6-acetylimino-4-[bis[2-(2-ethylhexoxy)-2-oxoethyl]amino]cyclohexa-2,4-dien-1-ylidene]-2-hydroxy-4-oxocyclobuten-1-yl]-N-[2-(2-ethylhexoxy)-2-oxoethyl]anilino]acetate;sulfur dioxide is CCCCC(CC)COC(=O)CN(CC(=O)OCC(CC)CCCC)C1=C/C(=N\C(C)=O)C(=C2C(=O)C(c3ccc(N(CC(=O)OCC(CC)CCCC)CC(=O)OCC(CC)CCCC)cc3NC(C)=O)=C2O)C=C1.CCCCC(CC)COCCN(CCCC)C1=CC(=O)C(=C2C(=O)C(c3c(O)cc(N(CCCC)CCOCC(CC)CCCC)cc3OC(C)C)=C2O)C(OC(C)C)=C1.CCCCCCCCN(CCCCCCCC)C1=CC(=O)C(=C2C(=O)C(c3ccc(N(CCCCCCCC)CCCCCCCC)cc3O)=C2O)C=C1.CCCCCCCCN(Cc1ccccc1)C1=CC(=O)C(=C2C(=O)C(c3c(O)cc(N(CCCCCCCC)Cc4ccccc4)cc3NCCCC)=C2O)C(NS(=O)(=O)CCCC)=C1.CCCCCCCCNC(=O)CCN(CC)c1cc(C)c(C2=C(O)C(=C3C(=O)C=C(N(CC)CCC(=O)CC)C=C3C)C2=O)c(O)c1.COC1=CC(=[N+](c2ccc(C)cc2)c2ccc(OC)cc2)C=C(OC)C1=C1C(=O)C(c2c(OC)cc(N(c3ccc(C)cc3)c3ccc(CO)cc3)cc2OC)=C1[O-].O=S=O.
What is the InChIKey of N-[3-[benzyl(octyl)amino]-6-[3-[4-[benzyl(octyl)amino]-2-(butylamino)-6-hydroxyphenyl]-2-hydroxy-4-oxocyclobut-2-en-1-ylidene]-5-oxocyclohexa-1,3-dien-1-yl]butane-1-sulfonamide;3-[butyl-[2-(2-ethylhexoxy)ethyl]amino]-6-[3-[4-[butyl-[2-(2-ethylhexoxy)ethyl]amino]-2-hydroxy-6-propan-2-yloxyphenyl]-2-hydroxy-4-oxocyclobut-2-en-1-ylidene]-5-propan-2-yloxycyclohexa-2,4-dien-1-one;4-[2,6-dimethoxy-4-[(4-methoxyphenyl)-(4-methylphenyl)azaniumylidene]cyclohexa-2,5-dien-1-ylidene]-2-[4-(N-[4-(hydroxymethyl)phenyl]-4-methylanilino)-2,6-dimethoxyphenyl]-3-oxocyclobuten-1-olate;3-(dioctylamino)-6-[3-[4-(dioctylamino)-2-hydroxyphenyl]-2-hydroxy-4-oxocyclobut-2-en-1-ylidene]cyclohexa-2,4-dien-1-one;3-[N-ethyl-4-[3-[4-[ethyl(3-oxopentyl)amino]-2-methyl-6-oxocyclohexa-2,4-dien-1-ylidene]-2-hydroxy-4-oxocyclobuten-1-yl]-3-hydroxy-5-methylanilino]-N-octylpropanamide;2-ethylhexyl 2-[3-acetamido-4-[3-[6-acetylimino-4-[bis[2-(2-ethylhexoxy)-2-oxoethyl]amino]cyclohexa-2,4-dien-1-ylidene]-2-hydroxy-4-oxocyclobuten-1-yl]-N-[2-(2-ethylhexoxy)-2-oxoethyl]anilino]acetate;sulfur dioxide?
The InChIKey is NTTGJDCTWFLLCJ-VSPGOSENSA-N. The full InChI is InChI=1S/C60H90N4O12.C54H74N4O6S.C50H80N2O8.C48H44N2O8.C48H76N2O4.C38H53N3O6.O2S/c1-11-19-23-43(15-5)37-73-53(67)33-63(34-54(68)74-38-44(16-6)24-20-12-2)47-27-29-49(51(31-47)61-41(9)65)57-59(71)58(60(57)72)50-30-28-48(32-52(50)62-42(10)66)64(35-55(69)75-39-45(17-7)25-21-13-3)36-56(70)76-40-46(18-8)26-22-14-4;1-5-9-13-15-17-25-32-57(39-41-27-21-19-22-28-41)43-35-45(55-31-11-7-3)49(47(59)37-43)51-53(61)52(54(51)62)50-46(56-65(63,64)34-12-8-4)36-44(38-48(50)60)58(33-26-18-16-14-10-6-2)40-42-29-23-20-24-30-42;1-11-17-21-37(15-5)33-57-27-25-51(23-19-13-3)39-29-41(53)45(43(31-39)59-35(7)8)47-49(55)48(50(47)56)46-42(54)30-40(32-44(46)60-36(9)10)52(24-20-14-4)26-28-58-34-38(16-6)22-18-12-2;1-29-8-14-32(15-9-29)49(34-18-12-31(28-51)13-19-34)36-24-39(55-4)43(40(25-36)56-5)45-47(52)46(48(45)53)44-41(57-6)26-37(27-42(44)58-7)50(33-16-10-30(2)11-17-33)35-20-22-38(54-3)23-21-35;1-5-9-13-17-21-25-33-49(34-26-22-18-14-10-6-2)39-29-31-41(43(51)37-39)45-47(53)46(48(45)54)42-32-30-40(38-44(42)52)50(35-27-23-19-15-11-7-3)36-28-24-20-16-12-8-4;1-7-11-12-13-14-15-18-39-32(45)17-20-41(10-4)28-22-26(6)34(31(44)24-28)36-37(46)35(38(36)47)33-25(5)21-27(23-30(33)43)40(9-3)19-16-29(42)8-2;1-3-2/h27-32,43-46,71H,11-26,33-40H2,1-10H3,(H,61,65);19-24,27-30,35-38,55-56,59,61H,5-18,25-26,31-34,39-40H2,1-4H3;29-32,35-38,53,55H,11-28,33-34H2,1-10H3;8-27,51H,28H2,1-7H3;29-32,37-38,51,53H,5-28,33-36H2,1-4H3;21-24,44,46H,7-20H2,1-6H3,(H,39,45);/b58-50?,62-52+;;;;;;.
What are the key properties of N-[3-[benzyl(octyl)amino]-6-[3-[4-[benzyl(octyl)amino]-2-(butylamino)-6-hydroxyphenyl]-2-hydroxy-4-oxocyclobut-2-en-1-ylidene]-5-oxocyclohexa-1,3-dien-1-yl]butane-1-sulfonamide;3-[butyl-[2-(2-ethylhexoxy)ethyl]amino]-6-[3-[4-[butyl-[2-(2-ethylhexoxy)ethyl]amino]-2-hydroxy-6-propan-2-yloxyphenyl]-2-hydroxy-4-oxocyclobut-2-en-1-ylidene]-5-propan-2-yloxycyclohexa-2,4-dien-1-one;4-[2,6-dimethoxy-4-[(4-methoxyphenyl)-(4-methylphenyl)azaniumylidene]cyclohexa-2,5-dien-1-ylidene]-2-[4-(N-[4-(hydroxymethyl)phenyl]-4-methylanilino)-2,6-dimethoxyphenyl]-3-oxocyclobuten-1-olate;3-(dioctylamino)-6-[3-[4-(dioctylamino)-2-hydroxyphenyl]-2-hydroxy-4-oxocyclobut-2-en-1-ylidene]cyclohexa-2,4-dien-1-one;3-[N-ethyl-4-[3-[4-[ethyl(3-oxopentyl)amino]-2-methyl-6-oxocyclohexa-2,4-dien-1-ylidene]-2-hydroxy-4-oxocyclobuten-1-yl]-3-hydroxy-5-methylanilino]-N-octylpropanamide;2-ethylhexyl 2-[3-acetamido-4-[3-[6-acetylimino-4-[bis[2-(2-ethylhexoxy)-2-oxoethyl]amino]cyclohexa-2,4-dien-1-ylidene]-2-hydroxy-4-oxocyclobuten-1-yl]-N-[2-(2-ethylhexoxy)-2-oxoethyl]anilino]acetate;sulfur dioxide?
N-[3-[benzyl(octyl)amino]-6-[3-[4-[benzyl(octyl)amino]-2-(butylamino)-6-hydroxyphenyl]-2-hydroxy-4-oxocyclobut-2-en-1-ylidene]-5-oxocyclohexa-1,3-dien-1-yl]butane-1-sulfonamide;3-[butyl-[2-(2-ethylhexoxy)ethyl]amino]-6-[3-[4-[butyl-[2-(2-ethylhexoxy)ethyl]amino]-2-hydroxy-6-propan-2-yloxyphenyl]-2-hydroxy-4-oxocyclobut-2-en-1-ylidene]-5-propan-2-yloxycyclohexa-2,4-dien-1-one;4-[2,6-dimethoxy-4-[(4-methoxyphenyl)-(4-methylphenyl)azaniumylidene]cyclohexa-2,5-dien-1-ylidene]-2-[4-(N-[4-(hydroxymethyl)phenyl]-4-methylanilino)-2,6-dimethoxyphenyl]-3-oxocyclobuten-1-olate;3-(dioctylamino)-6-[3-[4-(dioctylamino)-2-hydroxyphenyl]-2-hydroxy-4-oxocyclobut-2-en-1-ylidene]cyclohexa-2,4-dien-1-one;3-[N-ethyl-4-[3-[4-[ethyl(3-oxopentyl)amino]-2-methyl-6-oxocyclohexa-2,4-dien-1-ylidene]-2-hydroxy-4-oxocyclobuten-1-yl]-3-hydroxy-5-methylanilino]-N-octylpropanamide;2-ethylhexyl 2-[3-acetamido-4-[3-[6-acetylimino-4-[bis[2-(2-ethylhexoxy)-2-oxoethyl]amino]cyclohexa-2,4-dien-1-ylidene]-2-hydroxy-4-oxocyclobuten-1-yl]-N-[2-(2-ethylhexoxy)-2-oxoethyl]anilino]acetate;sulfur dioxide has a molecular weight of 5037.82 g/mol, XLogP of 62.09, 159 rotatable bonds, 14 hydrogen bond donors, and 58 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[benzyl(octyl)amino]-6-[3-[4-[benzyl(octyl)amino]-2-(butylamino)-6-hydroxyphenyl]-2-hydroxy-4-oxocyclobut-2-en-1-ylidene]-5-oxocyclohexa-1,3-dien-1-yl]butane-1-sulfonamide;3-[butyl-[2-(2-ethylhexoxy)ethyl]amino]-6-[3-[4-[butyl-[2-(2-ethylhexoxy)ethyl]amino]-2-hydroxy-6-propan-2-yloxyphenyl]-2-hydroxy-4-oxocyclobut-2-en-1-ylidene]-5-propan-2-yloxycyclohexa-2,4-dien-1-one;4-[2,6-dimethoxy-4-[(4-methoxyphenyl)-(4-methylphenyl)azaniumylidene]cyclohexa-2,5-dien-1-ylidene]-2-[4-(N-[4-(hydroxymethyl)phenyl]-4-methylanilino)-2,6-dimethoxyphenyl]-3-oxocyclobuten-1-olate;3-(dioctylamino)-6-[3-[4-(dioctylamino)-2-hydroxyphenyl]-2-hydroxy-4-oxocyclobut-2-en-1-ylidene]cyclohexa-2,4-dien-1-one;3-[N-ethyl-4-[3-[4-[ethyl(3-oxopentyl)amino]-2-methyl-6-oxocyclohexa-2,4-dien-1-ylidene]-2-hydroxy-4-oxocyclobuten-1-yl]-3-hydroxy-5-methylanilino]-N-octylpropanamide;2-ethylhexyl 2-[3-acetamido-4-[3-[6-acetylimino-4-[bis[2-(2-ethylhexoxy)-2-oxoethyl]amino]cyclohexa-2,4-dien-1-ylidene]-2-hydroxy-4-oxocyclobuten-1-yl]-N-[2-(2-ethylhexoxy)-2-oxoethyl]anilino]acetate;sulfur dioxide is sourced from PubChem (CID 161158995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).