methyl 4,4-dimethyl-2-(phenylmethyl)-2-sulfanyl-pentanoate

Systemtic Name: methyl 4,4-dimethyl-2-(phenylmethyl)-2-sulfanyl-pentanoate Openeye Name: methyl 2-benzyl-4,4-dimethyl-2-sulfanyl-pentanoate CAS Name: 2-mercapto-4,4-dimethyl-2-(phenylmethyl)pentanoic acid methyl ester IUPAC Name: methyl 2-benzyl-4,4-dimethyl-2-sulfanylpentanoate Traditional Name: 2-benzyl-2-mercapto-4,4-dimethyl-valeric acid methyl ester Formula: C15H22O2S MolecularWeight: 266.39898

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H22O2S/c1-14(2,3)11-15(18,13(16)17-4)10-12-8-6-5-7-9-12/h5-9,18H,10-11H2,1-4H3