[4-[4-(1-octadecoxyethyl)phenyl]phenyl] 4-hexylbenzoate

Systemtic Name: [4-[4-(1-octadecoxyethyl)phenyl]phenyl] 4-hexylbenzoate Openeye Name: [4-[4-(1-octadecoxyethyl)phenyl]phenyl] 4-hexylbenzoate CAS Name: 4-hexylbenzoic acid [4-[4-(1-octadecoxyethyl)phenyl]phenyl] ester IUPAC Name: [4-[4-(1-octadecoxyethyl)phenyl]phenyl] 4-hexylbenzoate Traditional Name: 4-hexylbenzoic acid [4-[4-(1-stearyloxyethyl)phenyl]phenyl] ester Formula: C45H66O3 MolecularWeight: 655.00374

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOC(C)C1=CC=C(C=C1)C2=CC=C(C=C2)OC(=O)C3=CC=C(C=C3)CCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOC(C)C1=CC=C(C=C1)C2=CC=C(C=C2)OC(=O)C3=CC=C(C=C3)CCCCCC

InChI

InChI=1S/C45H66O3/c1-4-6-8-10-11-12-13-14-15-16-17-18-19-20-21-23-37-47-38(3)40-29-31-41(32-30-40)42-33-35-44(36-34-42)48-45(46)43-27-25-39(26-28-43)24-22-9-7-5-2/h25-36,38H,4-24,37H2,1-3H3