[4-(2-methylbutyl)phenyl] 4-heptylbenzoate

Systemtic Name: [4-(2-methylbutyl)phenyl] 4-heptylbenzoate Openeye Name: [4-(2-methylbutyl)phenyl] 4-heptylbenzoate CAS Name: 4-heptylbenzoic acid [4-(2-methylbutyl)phenyl] ester IUPAC Name: [4-(2-methylbutyl)phenyl] 4-heptylbenzoate Traditional Name: 4-heptylbenzoic acid [4-(2-methylbutyl)phenyl] ester Formula: C25H34O2 MolecularWeight: 366.53626

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H34O2/c1-4-6-7-8-9-10-21-11-15-23(16-12-21)25(26)27-24-17-13-22(14-18-24)19-20(3)5-2/h11-18,20H,4-10,19H2,1-3H3