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

Systemtic Name: (1-octoxy-4-phenyl-cyclohexa-2,5-dien-1-yl) 4-(1-hexadecoxyethyl)benzoate Openeye Name: (1-octoxy-4-phenyl-cyclohexa-2,5-dien-1-yl) 4-(1-hexadecoxyethyl)benzoate CAS Name: 4-(1-hexadecoxyethyl)benzoic acid (1-octoxy-4-phenyl-1-cyclohexa-2,5-dienyl) ester IUPAC Name: (1-octoxy-4-phenylcyclohexa-2,5-dien-1-yl) 4-(1-hexadecoxyethyl)benzoate Traditional Name: 4-(1-cetyloxyethyl)benzoic acid (1-octoxy-4-phenyl-cyclohexa-2,5-dien-1-yl) ester Formula: C45H68O4 MolecularWeight: 673.01902

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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)OCCCCCCCC

Isomeric SMILES

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

InChI

InChI=1S/C45H68O4/c1-4-6-8-10-12-13-14-15-16-17-18-19-20-25-37-47-39(3)40-29-31-43(32-30-40)44(46)49-45(48-38-26-21-11-9-7-5-2)35-33-42(34-36-45)41-27-23-22-24-28-41/h22-24,27-36,39,42H,4-21,25-26,37-38H2,1-3H3