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

Systemtic Name: 5-methyl-2-[4-[(4-methyl-3-sulfo-phenyl)amino]-9,10-bis(oxidanylidene)anthracen-1-yl]oxy-benzenesulfonic acid Openeye Name: 5-methyl-2-[[4-(4-methyl-3-sulfo-anilino)-9,10-dioxo-1-anthryl]oxy]benzenesulfonic acid CAS Name: 5-methyl-2-[[4-(4-methyl-3-sulfoanilino)-9,10-dioxo-1-anthracenyl]oxy]benzenesulfonic acid IUPAC Name: 5-methyl-2-[4-(4-methyl-3-sulfoanilino)-9,10-dioxoanthracen-1-yl]oxybenzenesulfonic acid Traditional Name: 2-[[9,10-diketo-4-(4-methyl-3-sulfo-anilino)-1-anthryl]oxy]-5-methyl-besylic acid Formula: C28H21NO9S2 MolecularWeight: 579.59764

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC2=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=CC(=C(C=C1)OC2=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/C28H21NO9S2/c1-15-7-11-21(24(13-15)40(35,36)37)38-22-12-10-20(29-17-9-8-16(2)23(14-17)39(32,33)34)25-26(22)28(31)19-6-4-3-5-18(19)27(25)30/h3-14,29H,1-2H3,(H,32,33,34)(H,35,36,37)