[1-(1-hexadecoxyethyl)-4-phenyl-cyclohexa-2,5-dien-1-yl] 4-decoxybenzoate

Systemtic Name: [1-(1-hexadecoxyethyl)-4-phenyl-cyclohexa-2,5-dien-1-yl] 4-decoxybenzoate Openeye Name: [1-(1-hexadecoxyethyl)-4-phenyl-cyclohexa-2,5-dien-1-yl] 4-decoxybenzoate CAS Name: 4-decoxybenzoic acid [1-(1-hexadecoxyethyl)-4-phenyl-1-cyclohexa-2,5-dienyl] ester IUPAC Name: [1-(1-hexadecoxyethyl)-4-phenylcyclohexa-2,5-dien-1-yl] 4-decoxybenzoate Traditional Name: 4-decoxybenzoic acid [1-(1-cetyloxyethyl)-4-phenyl-cyclohexa-2,5-dien-1-yl] ester Formula: C47H72O4 MolecularWeight: 701.07218

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC(C)C1(C=CC(C=C1)C2=CC=CC=C2)OC(=O)C3=CC=C(C=C3)OCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCOC(C)C1(C=CC(C=C1)C2=CC=CC=C2)OC(=O)C3=CC=C(C=C3)OCCCCCCCCCC

InChI

InChI=1S/C47H72O4/c1-4-6-8-10-12-14-15-16-17-18-19-21-22-27-39-49-41(3)47(37-35-43(36-38-47)42-29-25-24-26-30-42)51-46(48)44-31-33-45(34-32-44)50-40-28-23-20-13-11-9-7-5-2/h24-26,29-38,41,43H,4-23,27-28,39-40H2,1-3H3