3-ethanoylsulfanyl-5-methyl-2-(phenylmethyl)hexanoic acid

Systemtic Name: 3-ethanoylsulfanyl-5-methyl-2-(phenylmethyl)hexanoic acid Openeye Name: 3-acetylsulfanyl-2-benzyl-5-methyl-hexanoic acid CAS Name: 3-(acetylthio)-5-methyl-2-(phenylmethyl)hexanoic acid IUPAC Name: 3-acetylsulfanyl-2-benzyl-5-methylhexanoic acid Traditional Name: 3-(acetylthio)-2-benzyl-5-methyl-hexanoic acid Formula: C16H22O3S MolecularWeight: 294.40908

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H22O3S/c1-11(2)9-15(20-12(3)17)14(16(18)19)10-13-7-5-4-6-8-13/h4-8,11,14-15H,9-10H2,1-3H3,(H,18,19)