[(E)-5-[(2R,3R)-3-(hydroxymethyl)-2-methyl-oxiran-2-yl]-2-methyl-pent-2-enyl] benzoate

Systemtic Name: [(E)-5-[(2R,3R)-3-(hydroxymethyl)-2-methyl-oxiran-2-yl]-2-methyl-pent-2-enyl] benzoate Openeye Name: [(E)-5-[(2R,3R)-3-(hydroxymethyl)-2-methyl-oxiran-2-yl]-2-methyl-pent-2-enyl] benzoate CAS Name: benzoic acid [(E)-5-[(2R,3R)-3-(hydroxymethyl)-2-methyl-2-oxiranyl]-2-methylpent-2-enyl] ester IUPAC Name: [(E)-5-[(2R,3R)-3-(hydroxymethyl)-2-methyloxiran-2-yl]-2-methylpent-2-enyl] benzoate Traditional Name: benzoic acid [(E)-2-methyl-5-[(2R,3R)-2-methyl-3-methylol-oxiran-2-yl]pent-2-enyl] ester Formula: C17H22O4 MolecularWeight: 290.35418

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CCCC1(C(O1)CO)C)COC(=O)C2=CC=CC=C2

Isomeric SMILES

C/C(=C\CC[C@@]1([C@H](O1)CO)C)/COC(=O)C2=CC=CC=C2

InChI

InChI=1S/C17H22O4/c1-13(7-6-10-17(2)15(11-18)21-17)12-20-16(19)14-8-4-3-5-9-14/h3-5,7-9,15,18H,6,10-12H2,1-2H3/b13-7+/t15-,17-/m1/s1