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

Systemtic Name: [1-(1-icosoxyethyl)-4-phenyl-cyclohexa-2,5-dien-1-yl] 4-butoxybenzoate Openeye Name: [1-(1-icosoxyethyl)-4-phenyl-cyclohexa-2,5-dien-1-yl] 4-butoxybenzoate CAS Name: 4-butoxybenzoic 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-butoxybenzoate Traditional Name: 4-butoxybenzoic acid [1-(1-arachyloxyethyl)-4-phenyl-cyclohexa-2,5-dien-1-yl] ester Formula: C45H68O4 MolecularWeight: 673.01902

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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)OCCCC

Isomeric SMILES

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

InChI

InChI=1S/C45H68O4/c1-4-6-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-26-38-47-39(3)45(35-33-41(34-36-45)40-27-24-23-25-28-40)49-44(46)42-29-31-43(32-30-42)48-37-7-5-2/h23-25,27-36,39,41H,4-22,26,37-38H2,1-3H3