disodium 5-methyl-2-[[4-[(4-methyl-2-sulfonato-phenyl)amino]-9,10-bis(oxidanylidene)anthracen-1-yl]amino]benzenesulfonate

Systemtic Name: disodium 5-methyl-2-[[4-[(4-methyl-2-sulfonato-phenyl)amino]-9,10-bis(oxidanylidene)anthracen-1-yl]amino]benzenesulfonate Openeye Name: disodium 5-methyl-2-[[4-(4-methyl-2-sulfonato-anilino)-9,10-dioxo-1-anthryl]amino]benzenesulfonate CAS Name: disodium 5-methyl-2-[[4-(4-methyl-2-sulfonatoanilino)-9,10-dioxo-1-anthracenyl]amino]benzenesulfonate IUPAC Name: disodium 5-methyl-2-[[4-(4-methyl-2-sulfonatoanilino)-9,10-dioxoanthracen-1-yl]amino]benzenesulfonate Traditional Name: disodium 2-[[9,10-diketo-4-(4-methyl-2-sulfonato-anilino)-1-anthryl]amino]-5-methyl-besylate Formula: C28H20N2Na2O8S2 MolecularWeight: 622.57654

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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)S(=O)(=O)[O-].[Na+].[Na+]

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)S(=O)(=O)[O-].[Na+].[Na+]

InChI

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