(phenylmethyl) (3R)-3,7-dimethyl-6,7-bis(oxidanyl)octanoate

Systemtic Name: (phenylmethyl) (3R)-3,7-dimethyl-6,7-bis(oxidanyl)octanoate Openeye Name: benzyl (3R)-6,7-dihydroxy-3,7-dimethyl-octanoate CAS Name: (3R)-6,7-dihydroxy-3,7-dimethyloctanoic acid (phenylmethyl) ester IUPAC Name: benzyl (3R)-6,7-dihydroxy-3,7-dimethyloctanoate Traditional Name: (3R)-6,7-dihydroxy-3,7-dimethyl-caprylic acid benzyl ester Formula: C17H26O4 MolecularWeight: 294.38594

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC(C(C)(C)O)O)CC(=O)OCC1=CC=CC=C1

Isomeric SMILES

C[C@H](CCC(C(C)(C)O)O)CC(=O)OCC1=CC=CC=C1

InChI

InChI=1S/C17H26O4/c1-13(9-10-15(18)17(2,3)20)11-16(19)21-12-14-7-5-4-6-8-14/h4-8,13,15,18,20H,9-12H2,1-3H3/t13-,15?/m1/s1