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

Systemtic Name: disodium 1-azanyl-9,10-bis(oxidanylidene)-4-[[4-(2-oxidanylidenepropylamino)-2-sulfonato-phenyl]amino]anthracene-2-sulfonate Openeye Name: disodium 4-[4-(acetonylamino)-2-sulfonato-anilino]-1-amino-9,10-dioxo-anthracene-2-sulfonate CAS Name: disodium 1-amino-9,10-dioxo-4-[4-(2-oxopropylamino)-2-sulfonatoanilino]-2-anthracenesulfonate IUPAC Name: disodium 1-amino-9,10-dioxo-4-[4-(2-oxopropylamino)-2-sulfonatoanilino]anthracene-2-sulfonate Traditional Name: disodium 4-[4-(acetonylamino)-2-sulfonato-anilino]-1-amino-9,10-diketo-anthracene-2-sulfonate Formula: C23H17N3Na2O9S2 MolecularWeight: 589.50532

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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-].[Na+].[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-])S(=O)(=O)[O-].[Na+].[Na+]

InChI

InChI=1S/C23H19N3O9S2.2Na/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);;/q;2*+1/p-2