4-(2-oxidanylidene-2-propan-2-yloxy-ethyl)sulfanylbenzoic acid

Systemtic Name: 4-(2-oxidanylidene-2-propan-2-yloxy-ethyl)sulfanylbenzoic acid Openeye Name: 4-(2-isopropoxy-2-oxo-ethyl)sulfanylbenzoic acid CAS Name: 4-[(2-oxo-2-propan-2-yloxyethyl)thio]benzoic acid IUPAC Name: 4-(2-oxo-2-propan-2-yloxyethyl)sulfanylbenzoic acid Traditional Name: 4-[(2-isopropoxy-2-keto-ethyl)thio]benzoic acid Formula: C12H14O4S MolecularWeight: 254.30216

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)CSC1=CC=C(C=C1)C(=O)O

Isomeric SMILES

CC(C)OC(=O)CSC1=CC=C(C=C1)C(=O)O

InChI

InChI=1S/C12H14O4S/c1-8(2)16-11(13)7-17-10-5-3-9(4-6-10)12(14)15/h3-6,8H,7H2,1-2H3,(H,14,15)