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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=CC=CC(=C1)NC2=CC(=C(C3=C2C(=O)C4=CC=CC=C4C3=O)N)S(=O)(=O)[O-].[Na+]

Isomeric SMILES

CCC(=O)NC1=CC=CC(=C1)NC2=CC(=C(C3=C2C(=O)C4=CC=CC=C4C3=O)N)S(=O)(=O)[O-].[Na+]

InChI

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