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

Systemtic Name: (1-dodecoxy-4-phenyl-cyclohexa-2,5-dien-1-yl) 4-(1-hexadecoxyethyl)benzoate Openeye Name: (1-dodecoxy-4-phenyl-cyclohexa-2,5-dien-1-yl) 4-(1-hexadecoxyethyl)benzoate CAS Name: 4-(1-hexadecoxyethyl)benzoic acid (1-dodecoxy-4-phenyl-1-cyclohexa-2,5-dienyl) ester IUPAC Name: (1-dodecoxy-4-phenylcyclohexa-2,5-dien-1-yl) 4-(1-hexadecoxyethyl)benzoate Traditional Name: 4-(1-cetyloxyethyl)benzoic acid (1-lauryloxy-4-phenyl-cyclohexa-2,5-dien-1-yl) ester Formula: C49H76O4 MolecularWeight: 729.12534

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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)OCCCCCCCCCCCC

Isomeric SMILES

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

InChI

InChI=1S/C49H76O4/c1-4-6-8-10-12-14-16-17-18-19-20-22-24-29-41-51-43(3)44-33-35-47(36-34-44)48(50)53-49(39-37-46(38-40-49)45-31-27-26-28-32-45)52-42-30-25-23-21-15-13-11-9-7-5-2/h26-28,31-40,43,46H,4-25,29-30,41-42H2,1-3H3