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

Systemtic Name: [1-(1-hexadecoxyethyl)-4-phenyl-cyclohexa-2,5-dien-1-yl] 4-hexoxybenzoate Openeye Name: [1-(1-hexadecoxyethyl)-4-phenyl-cyclohexa-2,5-dien-1-yl] 4-hexoxybenzoate CAS Name: 4-hexoxybenzoic 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-hexoxybenzoate Traditional Name: 4-hexoxybenzoic acid [1-(1-cetyloxyethyl)-4-phenyl-cyclohexa-2,5-dien-1-yl] ester Formula: C43H64O4 MolecularWeight: 644.96586

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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)OCCCCCC

Isomeric SMILES

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

InChI

InChI=1S/C43H64O4/c1-4-6-8-10-11-12-13-14-15-16-17-18-19-24-35-45-37(3)43(33-31-39(32-34-43)38-25-21-20-22-26-38)47-42(44)40-27-29-41(30-28-40)46-36-23-9-7-5-2/h20-22,25-34,37,39H,4-19,23-24,35-36H2,1-3H3