sodium 1-azanyl-9,10-bis(oxidanylidene)-4-(propanoylamino)anthracene-2-sulfonate

Systemtic Name: sodium 1-azanyl-9,10-bis(oxidanylidene)-4-(propanoylamino)anthracene-2-sulfonate Openeye Name: sodium 1-amino-9,10-dioxo-4-(propanoylamino)anthracene-2-sulfonate CAS Name: sodium 1-amino-9,10-dioxo-4-(1-oxopropylamino)-2-anthracenesulfonate IUPAC Name: sodium 1-amino-9,10-dioxo-4-(propanoylamino)anthracene-2-sulfonate Traditional Name: sodium 1-amino-9,10-diketo-4-propionamido-anthracene-2-sulfonate Formula: C17H13N2NaO6S MolecularWeight: 396.34969

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=CC(=C(C2=C1C(=O)C3=CC=CC=C3C2=O)N)S(=O)(=O)[O-].[Na+]

Isomeric SMILES

CCC(=O)NC1=CC(=C(C2=C1C(=O)C3=CC=CC=C3C2=O)N)S(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C17H14N2O6S.Na/c1-2-12(20)19-10-7-11(26(23,24)25)15(18)14-13(10)16(21)8-5-3-4-6-9(8)17(14)22;/h3-7H,2,18H2,1H3,(H,19,20)(H,23,24,25);/q;+1/p-1