(2-pentadecan-4-ylphenyl) 4-[4-(1-octadecoxyethyl)phenyl]benzoate

Systemtic Name: (2-pentadecan-4-ylphenyl) 4-[4-(1-octadecoxyethyl)phenyl]benzoate Openeye Name: [2-(1-propyldodecyl)phenyl] 4-[4-(1-octadecoxyethyl)phenyl]benzoate CAS Name: 4-[4-(1-octadecoxyethyl)phenyl]benzoic acid (2-pentadecan-4-ylphenyl) ester IUPAC Name: (2-pentadecan-4-ylphenyl) 4-[4-(1-octadecoxyethyl)phenyl]benzoate Traditional Name: 4-[4-(1-stearyloxyethyl)phenyl]benzoic acid [2-(1-propyldodecyl)phenyl] ester Formula: C54H84O3 MolecularWeight: 781.24296

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOC(C)C1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)OC3=CC=CC=C3C(CCC)CCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOC(C)C1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)OC3=CC=CC=C3C(CCC)CCCCCCCCCCC

InChI

InChI=1S/C54H84O3/c1-5-8-10-12-14-16-17-18-19-20-21-22-24-26-28-32-45-56-46(4)47-37-39-48(40-38-47)49-41-43-51(44-42-49)54(55)57-53-36-31-30-35-52(53)50(33-7-3)34-29-27-25-23-15-13-11-9-6-2/h30-31,35-44,46,50H,5-29,32-34,45H2,1-4H3