2-[(3-methoxy-3-oxidanylidene-propyl)sulfonylmethyl]benzoic acid

Systemtic Name: 2-[(3-methoxy-3-oxidanylidene-propyl)sulfonylmethyl]benzoic acid Openeye Name: 2-[(3-methoxy-3-oxo-propyl)sulfonylmethyl]benzoic acid CAS Name: 2-[(3-methoxy-3-oxopropyl)sulfonylmethyl]benzoic acid IUPAC Name: 2-[(3-methoxy-3-oxopropyl)sulfonylmethyl]benzoic acid Traditional Name: 2-[(3-keto-3-methoxy-propyl)sulfonylmethyl]benzoic acid Formula: C12H14O6S MolecularWeight: 286.30096

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCS(=O)(=O)CC1=CC=CC=C1C(=O)O

Isomeric SMILES

COC(=O)CCS(=O)(=O)CC1=CC=CC=C1C(=O)O

InChI

InChI=1S/C12H14O6S/c1-18-11(13)6-7-19(16,17)8-9-4-2-3-5-10(9)12(14)15/h2-5H,6-8H2,1H3,(H,14,15)