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

Systemtic Name: dipotassium 1-azanyl-9,10-bis(oxidanylidene)-4-[[3-(propanoylamino)-4-sulfonato-phenyl]amino]anthracene-2-sulfonate Openeye Name: dipotassium 1-amino-9,10-dioxo-4-[3-(propanoylamino)-4-sulfonato-anilino]anthracene-2-sulfonate CAS Name: dipotassium 1-amino-9,10-dioxo-4-[3-(1-oxopropylamino)-4-sulfonatoanilino]-2-anthracenesulfonate IUPAC Name: dipotassium 1-amino-9,10-dioxo-4-[3-(propanoylamino)-4-sulfonatoanilino]anthracene-2-sulfonate Traditional Name: dipotassium 1-amino-9,10-diketo-4-(3-propionamido-4-sulfonato-anilino)anthracene-2-sulfonate Formula: C23H17K2N3O9S2 MolecularWeight: 621.72238

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H19N3O9S2.2K/c1-2-18(27)26-14-9-11(7-8-16(14)36(30,31)32)25-15-10-17(37(33,34)35)21(24)20-19(15)22(28)12-5-3-4-6-13(12)23(20)29;;/h3-10,25H,2,24H2,1H3,(H,26,27)(H,30,31,32)(H,33,34,35);;/q;2*+1/p-2