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

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

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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)S(=O)(=O)O

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)S(=O)(=O)O

InChI

InChI=1S/C23H19N3O9S2/c1-11(27)10-25-12-6-7-15(17(8-12)36(30,31)32)26-16-9-18(37(33,34)35)21(24)20-19(16)22(28)13-4-2-3-5-14(13)23(20)29/h2-9,25-26H,10,24H2,1H3,(H,30,31,32)(H,33,34,35)