(4-chlorophenyl)methyl 4-[4-(1-octadecoxyethyl)phenyl]benzoate

Systemtic Name: (4-chlorophenyl)methyl 4-[4-(1-octadecoxyethyl)phenyl]benzoate Openeye Name: (4-chlorophenyl)methyl 4-[4-(1-octadecoxyethyl)phenyl]benzoate CAS Name: 4-[4-(1-octadecoxyethyl)phenyl]benzoic acid (4-chlorophenyl)methyl ester IUPAC Name: (4-chlorophenyl)methyl 4-[4-(1-octadecoxyethyl)phenyl]benzoate Traditional Name: 4-[4-(1-stearyloxyethyl)phenyl]benzoic acid (4-chlorobenzyl) ester Formula: C40H55ClO3 MolecularWeight: 619.3159

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOC(C)C1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)OCC3=CC=C(C=C3)Cl

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOC(C)C1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)OCC3=CC=C(C=C3)Cl

InChI

InChI=1S/C40H55ClO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-31-43-33(2)35-21-23-36(24-22-35)37-25-27-38(28-26-37)40(42)44-32-34-19-29-39(41)30-20-34/h19-30,33H,3-18,31-32H2,1-2H3