1-[4-(4-octylphenyl)phenyl]ethyl 4-methylhexanoate

Systemtic Name: 1-[4-(4-octylphenyl)phenyl]ethyl 4-methylhexanoate Openeye Name: 1-[4-(4-octylphenyl)phenyl]ethyl 4-methylhexanoate CAS Name: 4-methylhexanoic acid 1-[4-(4-octylphenyl)phenyl]ethyl ester IUPAC Name: 1-[4-(4-octylphenyl)phenyl]ethyl 4-methylhexanoate Traditional Name: 4-methylhexanoic acid 1-[4-(4-octylphenyl)phenyl]ethyl ester Formula: C29H42O2 MolecularWeight: 422.64258

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC=C(C=C1)C2=CC=C(C=C2)C(C)OC(=O)CCC(C)CC

Isomeric SMILES

CCCCCCCCC1=CC=C(C=C1)C2=CC=C(C=C2)C(C)OC(=O)CCC(C)CC

InChI

InChI=1S/C29H42O2/c1-5-7-8-9-10-11-12-25-14-16-27(17-15-25)28-20-18-26(19-21-28)24(4)31-29(30)22-13-23(3)6-2/h14-21,23-24H,5-13,22H2,1-4H3