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

Systemtic Name: [1-(1-icosoxyethyl)-4-phenyl-cyclohexa-2,5-dien-1-yl] 4-propoxybenzoate Openeye Name: [1-(1-icosoxyethyl)-4-phenyl-cyclohexa-2,5-dien-1-yl] 4-propoxybenzoate CAS Name: 4-propoxybenzoic 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-propoxybenzoate Traditional Name: 4-propoxybenzoic acid [1-(1-arachyloxyethyl)-4-phenyl-cyclohexa-2,5-dien-1-yl] ester Formula: C44H66O4 MolecularWeight: 658.99244

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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)OCCC

Isomeric SMILES

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

InChI

InChI=1S/C44H66O4/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25-37-46-38(3)44(34-32-40(33-35-44)39-26-23-22-24-27-39)48-43(45)41-28-30-42(31-29-41)47-36-5-2/h22-24,26-35,38,40H,4-21,25,36-37H2,1-3H3