3-ethanoyl-4-oxidanylidene-1H-cinnoline-6-sulfonic acid

Systemtic Name: 3-ethanoyl-4-oxidanylidene-1H-cinnoline-6-sulfonic acid Openeye Name: 3-acetyl-4-oxo-1H-cinnoline-6-sulfonic acid CAS Name: 3-acetyl-4-oxo-1H-cinnoline-6-sulfonic acid IUPAC Name: 3-acetyl-4-oxo-1H-cinnoline-6-sulfonic acid Traditional Name: 3-acetyl-4-keto-1H-cinnoline-6-sulfonic acid Formula: C10H8N2O5S MolecularWeight: 268.24592

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=NNC2=C(C1=O)C=C(C=C2)S(=O)(=O)O

Isomeric SMILES

CC(=O)C1=NNC2=C(C1=O)C=C(C=C2)S(=O)(=O)O

InChI

InChI=1S/C10H8N2O5S/c1-5(13)9-10(14)7-4-6(18(15,16)17)2-3-8(7)11-12-9/h2-4H,1H3,(H,11,14)(H,15,16,17)