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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC2=CC=CC3=C2C(=O)C4=C(C3=O)C(=CC=C4)NC5=C(C=C(C=C5)C)S(=O)(=O)O)S(=O)(=O)O

Isomeric SMILES

CC1=CC(=C(C=C1)NC2=CC=CC3=C2C(=O)C4=C(C3=O)C(=CC=C4)NC5=C(C=C(C=C5)C)S(=O)(=O)O)S(=O)(=O)O

InChI

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