[(3R,4S)-2-methyl-4,5-bis(oxidanyl)pent-1-en-3-yl] benzoate

Systemtic Name: [(3R,4S)-2-methyl-4,5-bis(oxidanyl)pent-1-en-3-yl] benzoate Openeye Name: [(1R)-1-[(1S)-1,2-dihydroxyethyl]-2-methyl-allyl] benzoate CAS Name: benzoic acid [(3R,4S)-4,5-dihydroxy-2-methylpent-1-en-3-yl] ester IUPAC Name: [(3R,4S)-4,5-dihydroxy-2-methylpent-1-en-3-yl] benzoate Traditional Name: benzoic acid [(1R)-1-[(1S)-1,2-dihydroxyethyl]-2-methyl-allyl] ester Formula: C13H16O4 MolecularWeight: 236.26374

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16O4/c1-9(2)12(11(15)8-14)17-13(16)10-6-4-3-5-7-10/h3-7,11-12,14-15H,1,8H2,2H3/t11-,12+/m0/s1