2-[8-(2-carboxyphenyl)sulfanyl-4,5-bis[(4-methylphenyl)sulfanyl]-9,10-bis(oxidanylidene)anthracen-1-yl]sulfanylbenzoic acid

Systemtic Name: 2-[8-(2-carboxyphenyl)sulfanyl-4,5-bis[(4-methylphenyl)sulfanyl]-9,10-bis(oxidanylidene)anthracen-1-yl]sulfanylbenzoic acid Openeye Name: 2-[[8-(2-carboxyphenyl)sulfanyl-9,10-dioxo-4,5-bis(p-tolylsulfanyl)-1-anthryl]sulfanyl]benzoic acid CAS Name: 2-[[8-[(2-carboxyphenyl)thio]-4,5-bis[(4-methylphenyl)thio]-9,10-dioxo-1-anthracenyl]thio]benzoic acid IUPAC Name: 2-[8-(2-carboxyphenyl)sulfanyl-4,5-bis[(4-methylphenyl)sulfanyl]-9,10-dioxoanthracen-1-yl]sulfanylbenzoic acid Traditional Name: 2-[[8-[(2-carboxyphenyl)thio]-9,10-diketo-4,5-bis(p-tolylthio)-1-anthryl]thio]benzoic acid Formula: C42H28O6S4 MolecularWeight: 756.92812

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=C3C(=C(C=C2)SC4=CC=CC=C4C(=O)O)C(=O)C5=C(C=CC(=C5C3=O)SC6=CC=C(C=C6)C)SC7=CC=CC=C7C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)SC2=C3C(=C(C=C2)SC4=CC=CC=C4C(=O)O)C(=O)C5=C(C=CC(=C5C3=O)SC6=CC=C(C=C6)C)SC7=CC=CC=C7C(=O)O

InChI

InChI=1S/C42H28O6S4/c1-23-11-15-25(16-12-23)49-31-19-21-33(51-29-9-5-3-7-27(29)41(45)46)37-35(31)39(43)36-32(50-26-17-13-24(2)14-18-26)20-22-34(38(36)40(37)44)52-30-10-6-4-8-28(30)42(47)48/h3-22H,1-2H3,(H,45,46)(H,47,48)