phenyl (E)-hexadec-3-enoate

Systemtic Name: phenyl (E)-hexadec-3-enoate Openeye Name: phenyl (E)-hexadec-3-enoate CAS Name: (E)-3-hexadecenoic acid phenyl ester IUPAC Name: phenyl (E)-hexadec-3-enoate Traditional Name: (E)-hexadec-3-enoic acid phenyl ester Formula: C22H34O2 MolecularWeight: 330.50416

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC=CCC(=O)OC1=CC=CC=C1

Isomeric SMILES

CCCCCCCCCCCC/C=C/CC(=O)OC1=CC=CC=C1

InChI

InChI=1S/C22H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-20-22(23)24-21-18-15-14-16-19-21/h13-19H,2-12,20H2,1H3/b17-13+