phenyl 4-octadecylbenzoate

Systemtic Name: phenyl 4-octadecylbenzoate Openeye Name: phenyl 4-octadecylbenzoate CAS Name: 4-octadecylbenzoic acid phenyl ester IUPAC Name: phenyl 4-octadecylbenzoate Traditional Name: 4-stearylbenzoic acid phenyl ester Formula: C31H46O2 MolecularWeight: 450.69574

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCC1=CC=C(C=C1)C(=O)OC2=CC=CC=C2

Isomeric SMILES

CCCCCCCCCCCCCCCCCCC1=CC=C(C=C1)C(=O)OC2=CC=CC=C2

InChI

InChI=1S/C31H46O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-21-28-24-26-29(27-25-28)31(32)33-30-22-19-17-20-23-30/h17,19-20,22-27H,2-16,18,21H2,1H3