4,4-dimethyl-2-(phenylmethyl)-2-sulfanyl-pentanoic acid

Systemtic Name: 4,4-dimethyl-2-(phenylmethyl)-2-sulfanyl-pentanoic acid Openeye Name: 2-benzyl-4,4-dimethyl-2-sulfanyl-pentanoic acid CAS Name: 2-mercapto-4,4-dimethyl-2-(phenylmethyl)pentanoic acid IUPAC Name: 2-benzyl-4,4-dimethyl-2-sulfanylpentanoic acid Traditional Name: 2-benzyl-2-mercapto-4,4-dimethyl-valeric acid Formula: C14H20O2S MolecularWeight: 252.3724

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H20O2S/c1-13(2,3)10-14(17,12(15)16)9-11-7-5-4-6-8-11/h4-8,17H,9-10H2,1-3H3,(H,15,16)