1-butoxypropan-2-yl 4-(4-heptylphenyl)benzoate

Systemtic Name: 1-butoxypropan-2-yl 4-(4-heptylphenyl)benzoate Openeye Name: (2-butoxy-1-methyl-ethyl) 4-(4-heptylphenyl)benzoate CAS Name: 4-(4-heptylphenyl)benzoic acid 1-butoxypropan-2-yl ester IUPAC Name: 1-butoxypropan-2-yl 4-(4-heptylphenyl)benzoate Traditional Name: 4-(4-heptylphenyl)benzoic acid (2-butoxy-1-methyl-ethyl) ester Formula: C27H38O3 MolecularWeight: 410.58882

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)OC(C)COCCCC

Isomeric SMILES

CCCCCCCC1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)OC(C)COCCCC

InChI

InChI=1S/C27H38O3/c1-4-6-8-9-10-11-23-12-14-24(15-13-23)25-16-18-26(19-17-25)27(28)30-22(3)21-29-20-7-5-2/h12-19,22H,4-11,20-21H2,1-3H3