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

Systemtic Name: (1-pentadecyl-4-phenyl-cyclohexa-2,5-dien-1-yl) 4-(1-hexadecoxyethyl)benzoate Openeye Name: (1-pentadecyl-4-phenyl-cyclohexa-2,5-dien-1-yl) 4-(1-hexadecoxyethyl)benzoate CAS Name: 4-(1-hexadecoxyethyl)benzoic acid (1-pentadecyl-4-phenyl-1-cyclohexa-2,5-dienyl) ester IUPAC Name: (1-pentadecyl-4-phenylcyclohexa-2,5-dien-1-yl) 4-(1-hexadecoxyethyl)benzoate Traditional Name: 4-(1-cetyloxyethyl)benzoic acid (1-pentadecyl-4-phenyl-cyclohexa-2,5-dien-1-yl) ester Formula: C52H82O3 MolecularWeight: 755.20568

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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)CCCCCCCCCCCCCCC

Isomeric SMILES

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

InChI

InChI=1S/C52H82O3/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-33-45-54-46(3)47-36-38-50(39-37-47)51(53)55-52(43-40-49(41-44-52)48-34-30-29-31-35-48)42-32-27-25-23-21-19-17-15-13-11-9-7-5-2/h29-31,34-41,43-44,46,49H,4-28,32-33,42,45H2,1-3H3