(1-butyl-4-phenyl-cyclohexa-2,5-dien-1-yl) 4-(1-hexadecoxyethyl)benzoate

Systemtic Name: (1-butyl-4-phenyl-cyclohexa-2,5-dien-1-yl) 4-(1-hexadecoxyethyl)benzoate Openeye Name: (1-butyl-4-phenyl-cyclohexa-2,5-dien-1-yl) 4-(1-hexadecoxyethyl)benzoate CAS Name: 4-(1-hexadecoxyethyl)benzoic acid (1-butyl-4-phenyl-1-cyclohexa-2,5-dienyl) ester IUPAC Name: (1-butyl-4-phenylcyclohexa-2,5-dien-1-yl) 4-(1-hexadecoxyethyl)benzoate Traditional Name: 4-(1-cetyloxyethyl)benzoic acid (1-butyl-4-phenyl-cyclohexa-2,5-dien-1-yl) ester Formula: C41H60O3 MolecularWeight: 600.9133

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC(C)C1=CC=C(C=C1)C(=O)OC2(C=CC(C=C2)C3=CC=CC=C3)CCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCOC(C)C1=CC=C(C=C1)C(=O)OC2(C=CC(C=C2)C3=CC=CC=C3)CCCC

InChI

InChI=1S/C41H60O3/c1-4-6-8-9-10-11-12-13-14-15-16-17-18-22-34-43-35(3)36-25-27-39(28-26-36)40(42)44-41(31-7-5-2)32-29-38(30-33-41)37-23-20-19-21-24-37/h19-21,23-30,32-33,35,38H,4-18,22,31,34H2,1-3H3