[(E,2R,3S)-6-methyl-1,2,8-tris(oxidanyl)oct-6-en-3-yl] benzoate

Systemtic Name: [(E,2R,3S)-6-methyl-1,2,8-tris(oxidanyl)oct-6-en-3-yl] benzoate Openeye Name: [(E,1S)-1-[(1R)-1,2-dihydroxyethyl]-6-hydroxy-4-methyl-hex-4-enyl] benzoate CAS Name: benzoic acid [(E,2R,3S)-1,2,8-trihydroxy-6-methyloct-6-en-3-yl] ester IUPAC Name: [(E,2R,3S)-1,2,8-trihydroxy-6-methyloct-6-en-3-yl] benzoate Traditional Name: benzoic acid [(E,1S)-1-[(1R)-1,2-dihydroxyethyl]-6-hydroxy-4-methyl-hex-4-enyl] ester Formula: C16H22O5 MolecularWeight: 294.34288

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H22O5/c1-12(9-10-17)7-8-15(14(19)11-18)21-16(20)13-5-3-2-4-6-13/h2-6,9,14-15,17-19H,7-8,10-11H2,1H3/b12-9+/t14-,15+/m1/s1