[4-(6-methyloctoxy)phenyl] 4-octylbenzoate

Systemtic Name: [4-(6-methyloctoxy)phenyl] 4-octylbenzoate Openeye Name: [4-(6-methyloctoxy)phenyl] 4-octylbenzoate CAS Name: 4-octylbenzoic acid [4-(6-methyloctoxy)phenyl] ester IUPAC Name: [4-(6-methyloctoxy)phenyl] 4-octylbenzoate Traditional Name: 4-octylbenzoic acid [4-(6-methyloctoxy)phenyl] ester Formula: C30H44O3 MolecularWeight: 452.66856

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)OCCCCCC(C)CC

Isomeric SMILES

CCCCCCCCC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)OCCCCCC(C)CC

InChI

InChI=1S/C30H44O3/c1-4-6-7-8-9-12-15-26-16-18-27(19-17-26)30(31)33-29-22-20-28(21-23-29)32-24-13-10-11-14-25(3)5-2/h16-23,25H,4-15,24H2,1-3H3