[(3S,4S,5S)-2-methyl-4,5-bis(oxidanyl)-8-phenyl-octan-3-yl] ethanoate

Systemtic Name: [(3S,4S,5S)-2-methyl-4,5-bis(oxidanyl)-8-phenyl-octan-3-yl] ethanoate Openeye Name: [(1S,2S,3S)-2,3-dihydroxy-1-isopropyl-6-phenyl-hexyl] acetate CAS Name: acetic acid [(3S,4S,5S)-4,5-dihydroxy-2-methyl-8-phenyloctan-3-yl] ester IUPAC Name: [(3S,4S,5S)-4,5-dihydroxy-2-methyl-8-phenyloctan-3-yl] acetate Traditional Name: acetic acid [(1S,2S,3S)-2,3-dihydroxy-1-isopropyl-6-phenyl-hexyl] ester Formula: C17H26O4 MolecularWeight: 294.38594

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(C(CCCC1=CC=CC=C1)O)O)OC(=O)C

Isomeric SMILES

CC(C)[C@@H]([C@H]([C@H](CCCC1=CC=CC=C1)O)O)OC(=O)C

InChI

InChI=1S/C17H26O4/c1-12(2)17(21-13(3)18)16(20)15(19)11-7-10-14-8-5-4-6-9-14/h4-6,8-9,12,15-17,19-20H,7,10-11H2,1-3H3/t15-,16-,17-/m0/s1