4-[2-[(2-methylpropan-2-yl)oxy]-2-oxidanylidene-ethyl]sulfanylbenzoic acid

Systemtic Name: 4-[2-[(2-methylpropan-2-yl)oxy]-2-oxidanylidene-ethyl]sulfanylbenzoic acid Openeye Name: 4-(2-tert-butoxy-2-oxo-ethyl)sulfanylbenzoic acid CAS Name: 4-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]thio]benzoic acid IUPAC Name: 4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]sulfanylbenzoic acid Traditional Name: 4-[(2-tert-butoxy-2-keto-ethyl)thio]benzoic acid Formula: C13H16O4S MolecularWeight: 268.32874

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16O4S/c1-13(2,3)17-11(14)8-18-10-6-4-9(5-7-10)12(15)16/h4-7H,8H2,1-3H3,(H,15,16)