(2Z,4E)-5-cyano-2-methyl-1-oxidanylidene-penta-2,4-diene-1-sulfonic acid

Systemtic Name: (2Z,4E)-5-cyano-2-methyl-1-oxidanylidene-penta-2,4-diene-1-sulfonic acid Openeye Name: (2Z,4E)-5-cyano-2-methyl-1-oxo-penta-2,4-diene-1-sulfonic acid CAS Name: (2Z,4E)-5-cyano-2-methyl-1-oxo-1-penta-2,4-dienesulfonic acid IUPAC Name: (2Z,4E)-5-cyano-2-methyl-1-oxopenta-2,4-diene-1-sulfonic acid Traditional Name: (2Z,4E)-5-cyano-1-keto-2-methyl-penta-2,4-diene-1-sulfonic acid Formula: C7H7NO4S MolecularWeight: 201.19978

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC=CC#N)C(=O)S(=O)(=O)O

Isomeric SMILES

C/C(=C/C=C/C#N)/C(=O)S(=O)(=O)O

InChI

InChI=1S/C7H7NO4S/c1-6(4-2-3-5-8)7(9)13(10,11)12/h2-4H,1H3,(H,10,11,12)/b3-2+,6-4-