3-pentadecyl-2-(phenylmethyl)oxirane-2-carboxylic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC1C(O1)(CC2=CC=CC=C2)C(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCC1C(O1)(CC2=CC=CC=C2)C(=O)O

InChI

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