sodium 1-azanyl-4-[[4-[ethanoyl(methyl)amino]phenyl]amino]-9,10-bis(oxidanylidene)anthracene-2-sulfonate

Systemtic Name: sodium 1-azanyl-4-[[4-[ethanoyl(methyl)amino]phenyl]amino]-9,10-bis(oxidanylidene)anthracene-2-sulfonate Openeye Name: sodium 4-[4-[acetyl(methyl)amino]anilino]-1-amino-9,10-dioxo-anthracene-2-sulfonate CAS Name: sodium 4-[4-[acetyl(methyl)amino]anilino]-1-amino-9,10-dioxo-2-anthracenesulfonate IUPAC Name: sodium 4-[4-[acetyl(methyl)amino]anilino]-1-amino-9,10-dioxoanthracene-2-sulfonate Traditional Name: sodium 4-[4-[acetyl(methyl)amino]anilino]-1-amino-9,10-diketo-anthracene-2-sulfonate Formula: C23H18N3NaO6S MolecularWeight: 487.46029

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N(C)C1=CC=C(C=C1)NC2=CC(=C(C3=C2C(=O)C4=CC=CC=C4C3=O)N)S(=O)(=O)[O-].[Na+]

Isomeric SMILES

CC(=O)N(C)C1=CC=C(C=C1)NC2=CC(=C(C3=C2C(=O)C4=CC=CC=C4C3=O)N)S(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C23H19N3O6S.Na/c1-12(27)26(2)14-9-7-13(8-10-14)25-17-11-18(33(30,31)32)21(24)20-19(17)22(28)15-5-3-4-6-16(15)23(20)29;/h3-11,25H,24H2,1-2H3,(H,30,31,32);/q;+1/p-1