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

Systemtic Name: [4-(1-hexadecoxyethyl)phenyl] 4-butylbenzoate Openeye Name: [4-(1-hexadecoxyethyl)phenyl] 4-butylbenzoate CAS Name: 4-butylbenzoic acid [4-(1-hexadecoxyethyl)phenyl] ester IUPAC Name: [4-(1-hexadecoxyethyl)phenyl] 4-butylbenzoate Traditional Name: 4-butylbenzoic acid [4-(1-cetyloxyethyl)phenyl] ester Formula: C35H54O3 MolecularWeight: 522.80146

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC(C)C1=CC=C(C=C1)OC(=O)C2=CC=C(C=C2)CCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCOC(C)C1=CC=C(C=C1)OC(=O)C2=CC=C(C=C2)CCCC

InChI

InChI=1S/C35H54O3/c1-4-6-8-9-10-11-12-13-14-15-16-17-18-19-29-37-30(3)32-25-27-34(28-26-32)38-35(36)33-23-21-31(22-24-33)20-7-5-2/h21-28,30H,4-20,29H2,1-3H3