heptan-2-yl 4-(4-pentylphenyl)benzoate

Systemtic Name: heptan-2-yl 4-(4-pentylphenyl)benzoate Openeye Name: 1-methylhexyl 4-(4-pentylphenyl)benzoate CAS Name: 4-(4-pentylphenyl)benzoic acid heptan-2-yl ester IUPAC Name: heptan-2-yl 4-(4-pentylphenyl)benzoate Traditional Name: 4-(4-amylphenyl)benzoic acid 1-methylhexyl ester Formula: C25H34O2 MolecularWeight: 366.53626

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)OC(C)CCCCC

Isomeric SMILES

CCCCCC1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)OC(C)CCCCC

InChI

InChI=1S/C25H34O2/c1-4-6-8-10-20(3)27-25(26)24-18-16-23(17-19-24)22-14-12-21(13-15-22)11-9-7-5-2/h12-20H,4-11H2,1-3H3