phenyl 1-azanyl-4,5,8-tris[(4-methylphenyl)sulfanyl]-9,10-bis(oxidanylidene)anthracene-2-carboxylate

Systemtic Name: phenyl 1-azanyl-4,5,8-tris[(4-methylphenyl)sulfanyl]-9,10-bis(oxidanylidene)anthracene-2-carboxylate Openeye Name: phenyl 1-amino-9,10-dioxo-4,5,8-tris(p-tolylsulfanyl)anthracene-2-carboxylate CAS Name: 1-amino-4,5,8-tris[(4-methylphenyl)thio]-9,10-dioxo-2-anthracenecarboxylic acid phenyl ester IUPAC Name: phenyl 1-amino-4,5,8-tris[(4-methylphenyl)sulfanyl]-9,10-dioxoanthracene-2-carboxylate Traditional Name: 1-amino-9,10-diketo-4,5,8-tris(p-tolylthio)anthracene-2-carboxylic acid phenyl ester Formula: C42H31NO4S3 MolecularWeight: 709.89484

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=C3C(=C(C=C2)SC4=CC=C(C=C4)C)C(=O)C5=C(C(=CC(=C5C3=O)SC6=CC=C(C=C6)C)C(=O)OC7=CC=CC=C7)N

Isomeric SMILES

CC1=CC=C(C=C1)SC2=C3C(=C(C=C2)SC4=CC=C(C=C4)C)C(=O)C5=C(C(=CC(=C5C3=O)SC6=CC=C(C=C6)C)C(=O)OC7=CC=CC=C7)N

InChI

InChI=1S/C42H31NO4S3/c1-24-9-15-28(16-10-24)48-32-21-22-33(49-29-17-11-25(2)12-18-29)36-35(32)40(44)37-34(50-30-19-13-26(3)14-20-30)23-31(39(43)38(37)41(36)45)42(46)47-27-7-5-4-6-8-27/h4-23H,43H2,1-3H3