(phenylmethyl) 3-pentadecyloxirane-2-carboxylate

Systemtic Name: (phenylmethyl) 3-pentadecyloxirane-2-carboxylate Openeye Name: benzyl 3-pentadecyloxirane-2-carboxylate CAS Name: 3-pentadecyl-2-oxiranecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 3-pentadecyloxirane-2-carboxylate Traditional Name: 3-pentadecyloxirane-2-carboxylic acid benzyl ester Formula: C25H40O3 MolecularWeight: 388.5833

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC1C(O1)C(=O)OCC2=CC=CC=C2

Isomeric SMILES

CCCCCCCCCCCCCCCC1C(O1)C(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C25H40O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-20-23-24(28-23)25(26)27-21-22-18-15-14-16-19-22/h14-16,18-19,23-24H,2-13,17,20-21H2,1H3