[4-[(E)-hept-1-enyl]phenyl] 4-heptylbenzoate

Systemtic Name: [4-[(E)-hept-1-enyl]phenyl] 4-heptylbenzoate Openeye Name: [4-[(E)-hept-1-enyl]phenyl] 4-heptylbenzoate CAS Name: 4-heptylbenzoic acid [4-[(E)-hept-1-enyl]phenyl] ester IUPAC Name: [4-[(E)-hept-1-enyl]phenyl] 4-heptylbenzoate Traditional Name: 4-heptylbenzoic acid [4-[(E)-hept-1-enyl]phenyl] ester Formula: C27H36O2 MolecularWeight: 392.57354

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C=CCCCCC

Isomeric SMILES

CCCCCCCC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)/C=C/CCCCC

InChI

InChI=1S/C27H36O2/c1-3-5-7-9-11-13-23-15-19-25(20-16-23)27(28)29-26-21-17-24(18-22-26)14-12-10-8-6-4-2/h12,14-22H,3-11,13H2,1-2H3/b14-12+