7-methyl-3-(phenylmethyl)octanoic acid

Systemtic Name: 7-methyl-3-(phenylmethyl)octanoic acid Openeye Name: 3-benzyl-7-methyl-octanoic acid CAS Name: 7-methyl-3-(phenylmethyl)octanoic acid IUPAC Name: 3-benzyl-7-methyloctanoic acid Traditional Name: 3-benzyl-7-methyl-caprylic acid Formula: C16H24O2 MolecularWeight: 248.36056

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H24O2/c1-13(2)7-6-10-15(12-16(17)18)11-14-8-4-3-5-9-14/h3-5,8-9,13,15H,6-7,10-12H2,1-2H3,(H,17,18)