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

Systemtic Name: [1-(1-icosoxyethyl)-4-phenyl-cyclohexa-2,5-dien-1-yl] 4-decoxybenzoate Openeye Name: [1-(1-icosoxyethyl)-4-phenyl-cyclohexa-2,5-dien-1-yl] 4-decoxybenzoate CAS Name: 4-decoxybenzoic acid [1-(1-eicosoxyethyl)-4-phenyl-1-cyclohexa-2,5-dienyl] ester IUPAC Name: [1-(1-icosoxyethyl)-4-phenylcyclohexa-2,5-dien-1-yl] 4-decoxybenzoate Traditional Name: 4-decoxybenzoic acid [1-(1-arachyloxyethyl)-4-phenyl-cyclohexa-2,5-dien-1-yl] ester Formula: C51H80O4 MolecularWeight: 757.1785

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C51H80O4/c1-4-6-8-10-12-14-15-16-17-18-19-20-21-22-23-25-26-31-43-53-45(3)51(41-39-47(40-42-51)46-33-29-28-30-34-46)55-50(52)48-35-37-49(38-36-48)54-44-32-27-24-13-11-9-7-5-2/h28-30,33-42,45,47H,4-27,31-32,43-44H2,1-3H3