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

Systemtic Name: pentyl 1-azanyl-4,5,8-tris[(4-methylphenyl)sulfanyl]-9,10-bis(oxidanylidene)anthracene-2-carboxylate Openeye Name: pentyl 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 pentyl ester IUPAC Name: pentyl 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 amyl ester Formula: C41H37NO4S3 MolecularWeight: 703.93178

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC(=O)C1=CC(=C2C(=C1N)C(=O)C3=C(C=CC(=C3C2=O)SC4=CC=C(C=C4)C)SC5=CC=C(C=C5)C)SC6=CC=C(C=C6)C

Isomeric SMILES

CCCCCOC(=O)C1=CC(=C2C(=C1N)C(=O)C3=C(C=CC(=C3C2=O)SC4=CC=C(C=C4)C)SC5=CC=C(C=C5)C)SC6=CC=C(C=C6)C

InChI

InChI=1S/C41H37NO4S3/c1-5-6-7-22-46-41(45)30-23-33(49-29-18-12-26(4)13-19-29)36-37(38(30)42)40(44)35-32(48-28-16-10-25(3)11-17-28)21-20-31(34(35)39(36)43)47-27-14-8-24(2)9-15-27/h8-21,23H,5-7,22,42H2,1-4H3