4-heptyl-2-(4-pentylphenyl)benzoate

Systemtic Name: 4-heptyl-2-(4-pentylphenyl)benzoate Openeye Name: 4-heptyl-2-(4-pentylphenyl)benzoate CAS Name: 4-heptyl-2-(4-pentylphenyl)benzoate IUPAC Name: 4-heptyl-2-(4-pentylphenyl)benzoate Traditional Name: 2-(4-amylphenyl)-4-heptyl-benzoate Formula: C25H33O2- MolecularWeight: 365.52832

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H34O2/c1-3-5-7-8-10-12-21-15-18-23(25(26)27)24(19-21)22-16-13-20(14-17-22)11-9-6-4-2/h13-19H,3-12H2,1-2H3,(H,26,27)/p-1