1-azanyl-9,10-bis(oxidanylidene)-4-[[3-(propanoylamino)-4-sulfo-phenyl]amino]anthracene-2-sulfonic acid

Systemtic Name: 1-azanyl-9,10-bis(oxidanylidene)-4-[[3-(propanoylamino)-4-sulfo-phenyl]amino]anthracene-2-sulfonic acid Openeye Name: 1-amino-9,10-dioxo-4-[3-(propanoylamino)-4-sulfo-anilino]anthracene-2-sulfonic acid CAS Name: 1-amino-9,10-dioxo-4-[3-(1-oxopropylamino)-4-sulfoanilino]-2-anthracenesulfonic acid IUPAC Name: 1-amino-9,10-dioxo-4-[3-(propanoylamino)-4-sulfoanilino]anthracene-2-sulfonic acid Traditional Name: 1-amino-9,10-diketo-4-(3-propionamido-4-sulfo-anilino)anthracene-2-sulfonic acid Formula: C23H19N3O9S2 MolecularWeight: 545.54166

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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

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

InChI

InChI=1S/C23H19N3O9S2/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)