sodium 4-methyl-2-[[8-oxidanyl-9,10-bis(oxidanylidene)-4-(propan-2-ylamino)anthracen-1-yl]amino]benzenesulfonate

Systemtic Name: sodium 4-methyl-2-[[8-oxidanyl-9,10-bis(oxidanylidene)-4-(propan-2-ylamino)anthracen-1-yl]amino]benzenesulfonate Openeye Name: sodium 2-[[8-hydroxy-4-(isopropylamino)-9,10-dioxo-1-anthryl]amino]-4-methyl-benzenesulfonate CAS Name: sodium 2-[[8-hydroxy-9,10-dioxo-4-(propan-2-ylamino)-1-anthracenyl]amino]-4-methylbenzenesulfonate IUPAC Name: sodium 2-[[8-hydroxy-9,10-dioxo-4-(propan-2-ylamino)anthracen-1-yl]amino]-4-methylbenzenesulfonate Traditional Name: sodium 2-[[8-hydroxy-4-(isopropylamino)-9,10-diketo-1-anthryl]amino]-4-methyl-besylate Formula: C24H21N2NaO6S MolecularWeight: 488.48811

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)S(=O)(=O)[O-])NC2=C3C(=C(C=C2)NC(C)C)C(=O)C4=C(C3=O)C(=CC=C4)O.[Na+]

Isomeric SMILES

CC1=CC(=C(C=C1)S(=O)(=O)[O-])NC2=C3C(=C(C=C2)NC(C)C)C(=O)C4=C(C3=O)C(=CC=C4)O.[Na+]

InChI

InChI=1S/C24H22N2O6S.Na/c1-12(2)25-15-8-9-16(26-17-11-13(3)7-10-19(17)33(30,31)32)22-21(15)23(28)14-5-4-6-18(27)20(14)24(22)29;/h4-12,25-27H,1-3H3,(H,30,31,32);/q;+1/p-1