phenyl (E)-heptacos-3-enoate

Systemtic Name: phenyl (E)-heptacos-3-enoate Openeye Name: phenyl (E)-heptacos-3-enoate CAS Name: (E)-3-heptacosenoic acid phenyl ester IUPAC Name: phenyl (E)-heptacos-3-enoate Traditional Name: (E)-heptacos-3-enoic acid phenyl ester Formula: C33H56O2 MolecularWeight: 484.79654

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C33H56O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-28-31-33(34)35-32-29-26-25-27-30-32/h24-30H,2-23,31H2,1H3/b28-24+