3,7-dimethyl-7-phenyl-octanoic acid

Systemtic Name: 3,7-dimethyl-7-phenyl-octanoic acid Openeye Name: 3,7-dimethyl-7-phenyl-octanoic acid CAS Name: 3,7-dimethyl-7-phenyloctanoic acid IUPAC Name: 3,7-dimethyl-7-phenyloctanoic acid Traditional Name: 3,7-dimethyl-7-phenyl-caprylic acid Formula: C16H24O2 MolecularWeight: 248.36056

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H24O2/c1-13(12-15(17)18)8-7-11-16(2,3)14-9-5-4-6-10-14/h4-6,9-10,13H,7-8,11-12H2,1-3H3,(H,17,18)