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

Systemtic Name: (1-heptyl-4-phenyl-cyclohexa-2,5-dien-1-yl) 4-(1-hexadecoxyethyl)benzoate Openeye Name: (1-heptyl-4-phenyl-cyclohexa-2,5-dien-1-yl) 4-(1-hexadecoxyethyl)benzoate CAS Name: 4-(1-hexadecoxyethyl)benzoic acid (1-heptyl-4-phenyl-1-cyclohexa-2,5-dienyl) ester IUPAC Name: (1-heptyl-4-phenylcyclohexa-2,5-dien-1-yl) 4-(1-hexadecoxyethyl)benzoate Traditional Name: 4-(1-cetyloxyethyl)benzoic acid (1-heptyl-4-phenyl-cyclohexa-2,5-dien-1-yl) ester Formula: C44H66O3 MolecularWeight: 642.99304

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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)CCCCCCC

Isomeric SMILES

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

InChI

InChI=1S/C44H66O3/c1-4-6-8-10-11-12-13-14-15-16-17-18-20-25-37-46-38(3)39-28-30-42(31-29-39)43(45)47-44(34-24-19-9-7-5-2)35-32-41(33-36-44)40-26-22-21-23-27-40/h21-23,26-33,35-36,38,41H,4-20,24-25,34,37H2,1-3H3