hexan-2-yl 4-(4-heptoxyphenyl)benzoate

Systemtic Name: hexan-2-yl 4-(4-heptoxyphenyl)benzoate Openeye Name: 1-methylpentyl 4-(4-heptoxyphenyl)benzoate CAS Name: 4-(4-heptoxyphenyl)benzoic acid hexan-2-yl ester IUPAC Name: hexan-2-yl 4-(4-heptoxyphenyl)benzoate Traditional Name: 4-(4-heptoxyphenyl)benzoic acid 1-methylpentyl ester Formula: C26H36O3 MolecularWeight: 396.56224

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)OC(C)CCCC

Isomeric SMILES

CCCCCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)OC(C)CCCC

InChI

InChI=1S/C26H36O3/c1-4-6-8-9-10-20-28-25-18-16-23(17-19-25)22-12-14-24(15-13-22)26(27)29-21(3)11-7-5-2/h12-19,21H,4-11,20H2,1-3H3