2-(4-heptylphenyl)-4-[(E)-pent-1-enyl]benzoate

Systemtic Name: 2-(4-heptylphenyl)-4-[(E)-pent-1-enyl]benzoate Openeye Name: 2-(4-heptylphenyl)-4-[(E)-pent-1-enyl]benzoate CAS Name: 2-(4-heptylphenyl)-4-[(E)-pent-1-enyl]benzoate IUPAC Name: 2-(4-heptylphenyl)-4-[(E)-pent-1-enyl]benzoate Traditional Name: 2-(4-heptylphenyl)-4-[(E)-pent-1-enyl]benzoate Formula: C25H31O2- MolecularWeight: 363.51244

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CC=C(C=C1)C2=C(C=CC(=C2)C=CCCC)C(=O)[O-]

Isomeric SMILES

CCCCCCCC1=CC=C(C=C1)C2=C(C=CC(=C2)/C=C/CCC)C(=O)[O-]

InChI

InChI=1S/C25H32O2/c1-3-5-7-8-10-11-20-13-16-22(17-14-20)24-19-21(12-9-6-4-2)15-18-23(24)25(26)27/h9,12-19H,3-8,10-11H2,1-2H3,(H,26,27)/p-1/b12-9+