phenyl (E)-henicos-3-enoate

Systemtic Name: phenyl (E)-henicos-3-enoate Openeye Name: phenyl (E)-henicos-3-enoate CAS Name: (E)-3-heneicosenoic acid phenyl ester IUPAC Name: phenyl (E)-henicos-3-enoate Traditional Name: (E)-heneicos-3-enoic acid phenyl ester Formula: C27H44O2 MolecularWeight: 400.63706

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H44O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-25-27(28)29-26-23-20-19-21-24-26/h18-24H,2-17,25H2,1H3/b22-18+