sodium 4-[(3-acetamido-4-methyl-phenyl)amino]-1-azanyl-9,10-bis(oxidanylidene)anthracene-2-sulfonate

Systemtic Name: sodium 4-[(3-acetamido-4-methyl-phenyl)amino]-1-azanyl-9,10-bis(oxidanylidene)anthracene-2-sulfonate Openeye Name: sodium 4-(3-acetamido-4-methyl-anilino)-1-amino-9,10-dioxo-anthracene-2-sulfonate CAS Name: sodium 4-(3-acetamido-4-methylanilino)-1-amino-9,10-dioxo-2-anthracenesulfonate IUPAC Name: sodium 4-(3-acetamido-4-methylanilino)-1-amino-9,10-dioxoanthracene-2-sulfonate Traditional Name: sodium 4-(3-acetamido-4-methyl-anilino)-1-amino-9,10-diketo-anthracene-2-sulfonate Formula: C23H18N3NaO6S MolecularWeight: 487.46029

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC2=CC(=C(C3=C2C(=O)C4=CC=CC=C4C3=O)N)S(=O)(=O)[O-])NC(=O)C.[Na+]

Isomeric SMILES

CC1=C(C=C(C=C1)NC2=CC(=C(C3=C2C(=O)C4=CC=CC=C4C3=O)N)S(=O)(=O)[O-])NC(=O)C.[Na+]

InChI

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