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

Systemtic Name: sodium 1-azanyl-4-[(4-ethanoylphenyl)amino]-9,10-bis(oxidanylidene)anthracene-2-sulfonate Openeye Name: sodium 4-(4-acetylanilino)-1-amino-9,10-dioxo-anthracene-2-sulfonate CAS Name: sodium 4-(4-acetylanilino)-1-amino-9,10-dioxo-2-anthracenesulfonate IUPAC Name: sodium 4-(4-acetylanilino)-1-amino-9,10-dioxoanthracene-2-sulfonate Traditional Name: sodium 4-(4-acetylanilino)-1-amino-9,10-diketo-anthracene-2-sulfonate Formula: C22H15N2NaO6S MolecularWeight: 458.41907

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)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)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/C22H16N2O6S.Na/c1-11(25)12-6-8-13(9-7-12)24-16-10-17(31(28,29)30)20(23)19-18(16)21(26)14-4-2-3-5-15(14)22(19)27;/h2-10,24H,23H2,1H3,(H,28,29,30);/q;+1/p-1