[4-[4-(1-hexadecoxyethyl)phenyl]phenyl] 4-pentadecylbenzoate

Systemtic Name: [4-[4-(1-hexadecoxyethyl)phenyl]phenyl] 4-pentadecylbenzoate Openeye Name: [4-[4-(1-hexadecoxyethyl)phenyl]phenyl] 4-pentadecylbenzoate CAS Name: 4-pentadecylbenzoic acid [4-[4-(1-hexadecoxyethyl)phenyl]phenyl] ester IUPAC Name: [4-[4-(1-hexadecoxyethyl)phenyl]phenyl] 4-pentadecylbenzoate Traditional Name: 4-pentadecylbenzoic acid [4-[4-(1-cetyloxyethyl)phenyl]phenyl] ester Formula: C52H80O3 MolecularWeight: 753.1898

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC(C)C1=CC=C(C=C1)C2=CC=C(C=C2)OC(=O)C3=CC=C(C=C3)CCCCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCOC(C)C1=CC=C(C=C1)C2=CC=C(C=C2)OC(=O)C3=CC=C(C=C3)CCCCCCCCCCCCCCC

InChI

InChI=1S/C52H80O3/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-44-54-45(3)47-36-38-48(39-37-47)49-40-42-51(43-41-49)55-52(53)50-34-32-46(33-35-50)31-29-27-25-23-21-19-17-15-13-11-9-7-5-2/h32-43,45H,4-31,44H2,1-3H3