1-octadecoxyethyl 3-[(4-chlorophenyl)methyl]-4-phenyl-benzoate

Systemtic Name: 1-octadecoxyethyl 3-[(4-chlorophenyl)methyl]-4-phenyl-benzoate Openeye Name: 1-octadecoxyethyl 3-[(4-chlorophenyl)methyl]-4-phenyl-benzoate CAS Name: 3-[(4-chlorophenyl)methyl]-4-phenylbenzoic acid 1-octadecoxyethyl ester IUPAC Name: 1-octadecoxyethyl 3-[(4-chlorophenyl)methyl]-4-phenylbenzoate Traditional Name: 3-(4-chlorobenzyl)-4-phenyl-benzoic acid 1-stearyloxyethyl ester Formula: C40H55ClO3 MolecularWeight: 619.3159

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOC(C)OC(=O)C1=CC(=C(C=C1)C2=CC=CC=C2)CC3=CC=C(C=C3)Cl

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOC(C)OC(=O)C1=CC(=C(C=C1)C2=CC=CC=C2)CC3=CC=C(C=C3)Cl

InChI

InChI=1S/C40H55ClO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-30-43-33(2)44-40(42)36-26-29-39(35-22-19-18-20-23-35)37(32-36)31-34-24-27-38(41)28-25-34/h18-20,22-29,32-33H,3-17,21,30-31H2,1-2H3