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

Systemtic Name: sodium 1-azanyl-9,10-bis(oxidanylidene)-4-[[4-(2-oxidanylidenepropylamino)phenyl]amino]anthracene-2-sulfonate Openeye Name: sodium 4-[4-(acetonylamino)anilino]-1-amino-9,10-dioxo-anthracene-2-sulfonate CAS Name: sodium 1-amino-9,10-dioxo-4-[4-(2-oxopropylamino)anilino]-2-anthracenesulfonate IUPAC Name: sodium 1-amino-9,10-dioxo-4-[4-(2-oxopropylamino)anilino]anthracene-2-sulfonate Traditional Name: sodium 4-[4-(acetonylamino)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)CNC1=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)CNC1=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)11-25-13-6-8-14(9-7-13)26-17-10-18(33(30,31)32)21(24)20-19(17)22(28)15-4-2-3-5-16(15)23(20)29;/h2-10,25-26H,11,24H2,1H3,(H,30,31,32);/q;+1/p-1