3-oxidanylidene-2-[(6-oxidanylidenecyclohexa-1,3-dien-1-yl)carbonylamino]propane-1-sulfonic acid

Systemtic Name: 3-oxidanylidene-2-[(6-oxidanylidenecyclohexa-1,3-dien-1-yl)carbonylamino]propane-1-sulfonic acid Openeye Name: 3-oxo-2-[(6-oxocyclohexa-1,3-diene-1-carbonyl)amino]propane-1-sulfonic acid CAS Name: 3-oxo-2-[[oxo-(6-oxo-1-cyclohexa-1,3-dienyl)methyl]amino]-1-propanesulfonic acid IUPAC Name: 3-oxo-2-[(6-oxocyclohexa-1,3-diene-1-carbonyl)amino]propane-1-sulfonic acid Traditional Name: 3-keto-2-[(6-ketocyclohexa-1,3-diene-1-carbonyl)amino]propane-1-sulfonic acid Formula: C10H11NO6S MolecularWeight: 273.26244

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Descriptors Computed from Structure

Canonical SMILES:

C1C=CC=C(C1=O)C(=O)NC(CS(=O)(=O)O)C=O

Isomeric SMILES

C1C=CC=C(C1=O)C(=O)NC(CS(=O)(=O)O)C=O

InChI

InChI=1S/C10H11NO6S/c12-5-7(6-18(15,16)17)11-10(14)8-3-1-2-4-9(8)13/h1-3,5,7H,4,6H2,(H,11,14)(H,15,16,17)