(2-octylphenyl) 4-(6-methyloctoxy)benzoate

Systemtic Name: (2-octylphenyl) 4-(6-methyloctoxy)benzoate Openeye Name: (2-octylphenyl) 4-(6-methyloctoxy)benzoate CAS Name: 4-(6-methyloctoxy)benzoic acid (2-octylphenyl) ester IUPAC Name: (2-octylphenyl) 4-(6-methyloctoxy)benzoate Traditional Name: 4-(6-methyloctoxy)benzoic acid (2-octylphenyl) ester Formula: C30H44O3 MolecularWeight: 452.66856

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC=CC=C1OC(=O)C2=CC=C(C=C2)OCCCCCC(C)CC

Isomeric SMILES

CCCCCCCCC1=CC=CC=C1OC(=O)C2=CC=C(C=C2)OCCCCCC(C)CC

InChI

InChI=1S/C30H44O3/c1-4-6-7-8-9-12-17-26-18-13-14-19-29(26)33-30(31)27-20-22-28(23-21-27)32-24-15-10-11-16-25(3)5-2/h13-14,18-23,25H,4-12,15-17,24H2,1-3H3