5-methyl-2-[[5-[(4-methyl-2-sulfo-phenyl)amino]-4,8-bis(oxidanyl)-9,10-bis(oxidanylidene)anthracen-1-yl]amino]benzenesulfonic acid

Systemtic Name: 5-methyl-2-[[5-[(4-methyl-2-sulfo-phenyl)amino]-4,8-bis(oxidanyl)-9,10-bis(oxidanylidene)anthracen-1-yl]amino]benzenesulfonic acid Openeye Name: 2-[[4,8-dihydroxy-5-(4-methyl-2-sulfo-anilino)-9,10-dioxo-1-anthryl]amino]-5-methyl-benzenesulfonic acid CAS Name: 2-[[4,8-dihydroxy-5-(4-methyl-2-sulfoanilino)-9,10-dioxo-1-anthracenyl]amino]-5-methylbenzenesulfonic acid IUPAC Name: 2-[[4,8-dihydroxy-5-(4-methyl-2-sulfoanilino)-9,10-dioxoanthracen-1-yl]amino]-5-methylbenzenesulfonic acid Traditional Name: 2-[[4,8-dihydroxy-9,10-diketo-5-(4-methyl-2-sulfo-anilino)-1-anthryl]amino]-5-methyl-besylic acid Formula: C28H22N2O10S2 MolecularWeight: 610.61168

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC2=C3C(=C(C=C2)O)C(=O)C4=C(C=CC(=C4C3=O)O)NC5=C(C=C(C=C5)C)S(=O)(=O)O)S(=O)(=O)O

Isomeric SMILES

CC1=CC(=C(C=C1)NC2=C3C(=C(C=C2)O)C(=O)C4=C(C=CC(=C4C3=O)O)NC5=C(C=C(C=C5)C)S(=O)(=O)O)S(=O)(=O)O

InChI

InChI=1S/C28H22N2O10S2/c1-13-3-5-15(21(11-13)41(35,36)37)29-17-7-9-19(31)25-23(17)27(33)26-20(32)10-8-18(24(26)28(25)34)30-16-6-4-14(2)12-22(16)42(38,39)40/h3-12,29-32H,1-2H3,(H,35,36,37)(H,38,39,40)