4-[(E)-4-methoxy-4-oxidanylidene-but-2-enyl]sulfonylbenzoic acid

Systemtic Name: 4-[(E)-4-methoxy-4-oxidanylidene-but-2-enyl]sulfonylbenzoic acid Openeye Name: 4-[(E)-4-methoxy-4-oxo-but-2-enyl]sulfonylbenzoic acid CAS Name: 4-[(E)-4-methoxy-4-oxobut-2-enyl]sulfonylbenzoic acid IUPAC Name: 4-[(E)-4-methoxy-4-oxobut-2-enyl]sulfonylbenzoic acid Traditional Name: 4-[(E)-4-keto-4-methoxy-but-2-enyl]sulfonylbenzoic acid Formula: C12H12O6S MolecularWeight: 284.28508

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C=CCS(=O)(=O)C1=CC=C(C=C1)C(=O)O

Isomeric SMILES

COC(=O)/C=C/CS(=O)(=O)C1=CC=C(C=C1)C(=O)O

InChI

InChI=1S/C12H12O6S/c1-18-11(13)3-2-8-19(16,17)10-6-4-9(5-7-10)12(14)15/h2-7H,8H2,1H3,(H,14,15)/b3-2+