1-azanyl-9,10-bis(oxidanylidene)-4-(propanoylamino)anthracene-2-sulfonic acid

Systemtic Name: 1-azanyl-9,10-bis(oxidanylidene)-4-(propanoylamino)anthracene-2-sulfonic acid Openeye Name: 1-amino-9,10-dioxo-4-(propanoylamino)anthracene-2-sulfonic acid CAS Name: 1-amino-9,10-dioxo-4-(1-oxopropylamino)-2-anthracenesulfonic acid IUPAC Name: 1-amino-9,10-dioxo-4-(propanoylamino)anthracene-2-sulfonic acid Traditional Name: 1-amino-9,10-diketo-4-propionamido-anthracene-2-sulfonic acid Formula: C17H14N2O6S MolecularWeight: 374.36786

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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

Isomeric SMILES

CCC(=O)NC1=CC(=C(C2=C1C(=O)C3=CC=CC=C3C2=O)N)S(=O)(=O)O

InChI

InChI=1S/C17H14N2O6S/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)