[4-(3-fluorophenyl)phenyl] 2-hexadecoxybenzoate

Systemtic Name: [4-(3-fluorophenyl)phenyl] 2-hexadecoxybenzoate Openeye Name: [4-(3-fluorophenyl)phenyl] 2-hexadecoxybenzoate CAS Name: 2-hexadecoxybenzoic acid [4-(3-fluorophenyl)phenyl] ester IUPAC Name: [4-(3-fluorophenyl)phenyl] 2-hexadecoxybenzoate Traditional Name: 2-cetyloxybenzoic acid [4-(3-fluorophenyl)phenyl] ester Formula: C35H45FO3 MolecularWeight: 532.728403

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC1=CC=CC=C1C(=O)OC2=CC=C(C=C2)C3=CC(=CC=C3)F

Isomeric SMILES

CCCCCCCCCCCCCCCCOC1=CC=CC=C1C(=O)OC2=CC=C(C=C2)C3=CC(=CC=C3)F

InChI

InChI=1S/C35H45FO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-27-38-34-22-16-15-21-33(34)35(37)39-32-25-23-29(24-26-32)30-19-18-20-31(36)28-30/h15-16,18-26,28H,2-14,17,27H2,1H3