[2-methyl-5-[(2R,5S)-6-methyl-5,6-bis(oxidanyl)heptan-2-yl]phenyl] ethanoate

Systemtic Name: [2-methyl-5-[(2R,5S)-6-methyl-5,6-bis(oxidanyl)heptan-2-yl]phenyl] ethanoate Openeye Name: [5-[(1R,4S)-4,5-dihydroxy-1,5-dimethyl-hexyl]-2-methyl-phenyl] acetate CAS Name: acetic acid [5-[(2R,5S)-5,6-dihydroxy-6-methylheptan-2-yl]-2-methylphenyl] ester IUPAC Name: [5-[(2R,5S)-5,6-dihydroxy-6-methylheptan-2-yl]-2-methylphenyl] acetate Traditional Name: acetic acid [5-[(1R,4S)-4,5-dihydroxy-1,5-dimethyl-hexyl]-2-methyl-phenyl] ester Formula: C17H26O4 MolecularWeight: 294.38594

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(C)CCC(C(C)(C)O)O)OC(=O)C

Isomeric SMILES

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

InChI

InChI=1S/C17H26O4/c1-11(7-9-16(19)17(4,5)20)14-8-6-12(2)15(10-14)21-13(3)18/h6,8,10-11,16,19-20H,7,9H2,1-5H3/t11-,16+/m1/s1