5-methyl-2-[[4-[(4-methylphenyl)amino]-9,10-bis(oxidanylidene)anthracen-1-yl]amino]benzenesulfonic acid

Systemtic Name: 5-methyl-2-[[4-[(4-methylphenyl)amino]-9,10-bis(oxidanylidene)anthracen-1-yl]amino]benzenesulfonic acid Openeye Name: 5-methyl-2-[[4-(4-methylanilino)-9,10-dioxo-1-anthryl]amino]benzenesulfonic acid CAS Name: 5-methyl-2-[[4-(4-methylanilino)-9,10-dioxo-1-anthracenyl]amino]benzenesulfonic acid IUPAC Name: 5-methyl-2-[[4-(4-methylanilino)-9,10-dioxoanthracen-1-yl]amino]benzenesulfonic acid Traditional Name: 2-[[9,10-diketo-4-(p-toluidino)-1-anthryl]amino]-5-methyl-besylic acid Formula: C28H22N2O5S MolecularWeight: 498.54968

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC2=C3C(=C(C=C2)NC4=C(C=C(C=C4)C)S(=O)(=O)O)C(=O)C5=CC=CC=C5C3=O

Isomeric SMILES

CC1=CC=C(C=C1)NC2=C3C(=C(C=C2)NC4=C(C=C(C=C4)C)S(=O)(=O)O)C(=O)C5=CC=CC=C5C3=O

InChI

InChI=1S/C28H22N2O5S/c1-16-7-10-18(11-8-16)29-22-13-14-23(30-21-12-9-17(2)15-24(21)36(33,34)35)26-25(22)27(31)19-5-3-4-6-20(19)28(26)32/h3-15,29-30H,1-2H3,(H,33,34,35)