(3S)-5-methyl-3-(phenylmethyl)hexanoic acid

Systemtic Name: (3S)-5-methyl-3-(phenylmethyl)hexanoic acid Openeye Name: (3S)-3-benzyl-5-methyl-hexanoic acid CAS Name: (3S)-5-methyl-3-(phenylmethyl)hexanoic acid IUPAC Name: (3S)-3-benzyl-5-methylhexanoic acid Traditional Name: (3S)-3-benzyl-5-methyl-hexanoic acid Formula: C14H20O2 MolecularWeight: 220.3074

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(C)C[C@@H](CC1=CC=CC=C1)CC(=O)O

InChI

InChI=1S/C14H20O2/c1-11(2)8-13(10-14(15)16)9-12-6-4-3-5-7-12/h3-7,11,13H,8-10H2,1-2H3,(H,15,16)/t13-/m0/s1