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3-oxidanylidene-2-(phenylmethyl)-2-(sulfanylmethyl)butanoic acid

3-oxidanylidene-2-(phenylmethyl)-2-(sulfanylmethyl)butanoic acid

Systemtic Name:3-oxidanylidene-2-(phenylmethyl)-2-(sulfanylmethyl)butanoic acid
Openeye Name:2-benzyl-3-oxo-2-(sulfanylmethyl)butanoic acid
CAS Name:2-(mercaptomethyl)-3-oxo-2-(phenylmethyl)butanoic acid
IUPAC Name:2-benzyl-3-oxo-2-(sulfanylmethyl)butanoic acid
Traditional Name:2-benzyl-3-keto-2-(mercaptomethyl)butyric acid
Formula: C12H14O3S
MolecularWeight: 238.30276
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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(CC1=CC=CC=C1)(CS)C(=O)O


Isomeric SMILES

CC(=O)C(CC1=CC=CC=C1)(CS)C(=O)O


InChI

InChI=1S/C12H14O3S/c1-9(13)12(8-16,11(14)15)7-10-5-3-2-4-6-10/h2-6,16H,7-8H2,1H3,(H,14,15)


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