2-methyl-5-[[4-[(4-methyl-3-sulfo-phenyl)amino]-9,10-bis(oxidanylidene)anthracen-1-yl]amino]benzenesulfonic acid

Systemtic Name: 2-methyl-5-[[4-[(4-methyl-3-sulfo-phenyl)amino]-9,10-bis(oxidanylidene)anthracen-1-yl]amino]benzenesulfonic acid Openeye Name: 2-methyl-5-[[4-(4-methyl-3-sulfo-anilino)-9,10-dioxo-1-anthryl]amino]benzenesulfonic acid CAS Name: 2-methyl-5-[[4-(4-methyl-3-sulfoanilino)-9,10-dioxo-1-anthracenyl]amino]benzenesulfonic acid IUPAC Name: 2-methyl-5-[[4-(4-methyl-3-sulfoanilino)-9,10-dioxoanthracen-1-yl]amino]benzenesulfonic acid Traditional Name: 5-[[9,10-diketo-4-(4-methyl-3-sulfo-anilino)-1-anthryl]amino]-2-methyl-besylic acid Formula: C28H22N2O8S2 MolecularWeight: 578.61288

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H22N2O8S2/c1-15-7-9-17(13-23(15)39(33,34)35)29-21-11-12-22(30-18-10-8-16(2)24(14-18)40(36,37)38)26-25(21)27(31)19-5-3-4-6-20(19)28(26)32/h3-14,29-30H,1-2H3,(H,33,34,35)(H,36,37,38)