[4-(1-octadecoxyethyl)phenyl] 4-butylbenzoate

Systemtic Name: [4-(1-octadecoxyethyl)phenyl] 4-butylbenzoate Openeye Name: [4-(1-octadecoxyethyl)phenyl] 4-butylbenzoate CAS Name: 4-butylbenzoic acid [4-(1-octadecoxyethyl)phenyl] ester IUPAC Name: [4-(1-octadecoxyethyl)phenyl] 4-butylbenzoate Traditional Name: 4-butylbenzoic acid [4-(1-stearyloxyethyl)phenyl] ester Formula: C37H58O3 MolecularWeight: 550.85462

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C37H58O3/c1-4-6-8-9-10-11-12-13-14-15-16-17-18-19-20-21-31-39-32(3)34-27-29-36(30-28-34)40-37(38)35-25-23-33(24-26-35)22-7-5-2/h23-30,32H,4-22,31H2,1-3H3