2-[(2S)-1-methoxy-1-oxidanylidene-propan-2-yl]sulfanylbenzoic acid

Systemtic Name: 2-[(2S)-1-methoxy-1-oxidanylidene-propan-2-yl]sulfanylbenzoic acid Openeye Name: 2-[(1S)-2-methoxy-1-methyl-2-oxo-ethyl]sulfanylbenzoic acid CAS Name: 2-[[(2S)-1-methoxy-1-oxopropan-2-yl]thio]benzoic acid IUPAC Name: 2-[(2S)-1-methoxy-1-oxopropan-2-yl]sulfanylbenzoic acid Traditional Name: 2-[[(1S)-2-keto-2-methoxy-1-methyl-ethyl]thio]benzoic acid Formula: C11H12O4S MolecularWeight: 240.27558

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OC)SC1=CC=CC=C1C(=O)O

Isomeric SMILES

C[C@@H](C(=O)OC)SC1=CC=CC=C1C(=O)O

InChI

InChI=1S/C11H12O4S/c1-7(11(14)15-2)16-9-6-4-3-5-8(9)10(12)13/h3-7H,1-2H3,(H,12,13)/t7-/m0/s1