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

Systemtic Name: [1-(1-icosoxyethyl)-4-phenyl-cyclohexa-2,5-dien-1-yl] 4-butylbenzoate Openeye Name: [1-(1-icosoxyethyl)-4-phenyl-cyclohexa-2,5-dien-1-yl] 4-butylbenzoate CAS Name: 4-butylbenzoic 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-butylbenzoate Traditional Name: 4-butylbenzoic acid [1-(1-arachyloxyethyl)-4-phenyl-cyclohexa-2,5-dien-1-yl] ester Formula: C45H68O3 MolecularWeight: 657.01962

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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)CCCC

Isomeric SMILES

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

InChI

InChI=1S/C45H68O3/c1-4-6-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-26-38-47-39(3)45(36-34-42(35-37-45)41-28-24-23-25-29-41)48-44(46)43-32-30-40(31-33-43)27-7-5-2/h23-25,28-37,39,42H,4-22,26-27,38H2,1-3H3