[1-(3-cyanophenyl)-2-methyl-1-oxidanylidene-propan-2-yl]sulfanylmethanoic acid

Systemtic Name: [1-(3-cyanophenyl)-2-methyl-1-oxidanylidene-propan-2-yl]sulfanylmethanoic acid Openeye Name: [2-(3-cyanophenyl)-1,1-dimethyl-2-oxo-ethyl]sulfanylformic acid CAS Name: [[1-(3-cyanophenyl)-2-methyl-1-oxopropan-2-yl]thio]formic acid IUPAC Name: [1-(3-cyanophenyl)-2-methyl-1-oxopropan-2-yl]sulfanylformic acid Traditional Name: [[2-(3-cyanophenyl)-2-keto-1,1-dimethyl-ethyl]thio]formic acid Formula: C12H11NO3S MolecularWeight: 249.28564

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)C1=CC=CC(=C1)C#N)SC(=O)O

Isomeric SMILES

CC(C)(C(=O)C1=CC=CC(=C1)C#N)SC(=O)O

InChI

InChI=1S/C12H11NO3S/c1-12(2,17-11(15)16)10(14)9-5-3-4-8(6-9)7-13/h3-6H,1-2H3,(H,15,16)