(E)-12-phenylmethoxyoctadec-9-enoic acid

Systemtic Name: (E)-12-phenylmethoxyoctadec-9-enoic acid Openeye Name: (E)-12-benzyloxyoctadec-9-enoic acid CAS Name: (E)-12-phenylmethoxy-9-octadecenoic acid IUPAC Name: (E)-12-phenylmethoxyoctadec-9-enoic acid Traditional Name: (E)-12-benzoxyoctadec-9-enoic acid Formula: C25H40O3 MolecularWeight: 388.5833

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(CC=CCCCCCCCC(=O)O)OCC1=CC=CC=C1

Isomeric SMILES

CCCCCCC(C/C=C/CCCCCCCC(=O)O)OCC1=CC=CC=C1

InChI

InChI=1S/C25H40O3/c1-2-3-4-14-19-24(28-22-23-17-12-11-13-18-23)20-15-9-7-5-6-8-10-16-21-25(26)27/h9,11-13,15,17-18,24H,2-8,10,14,16,19-22H2,1H3,(H,26,27)/b15-9+