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

Systemtic Name: [1-(1-icosoxyethyl)-4-phenyl-cyclohexa-2,5-dien-1-yl] 4-propylbenzoate Openeye Name: [1-(1-icosoxyethyl)-4-phenyl-cyclohexa-2,5-dien-1-yl] 4-propylbenzoate CAS Name: 4-propylbenzoic 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-propylbenzoate Traditional Name: 4-propylbenzoic acid [1-(1-arachyloxyethyl)-4-phenyl-cyclohexa-2,5-dien-1-yl] ester Formula: C44H66O3 MolecularWeight: 642.99304

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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)CCC

Isomeric SMILES

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

InChI

InChI=1S/C44H66O3/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25-37-46-38(3)44(35-33-41(34-36-44)40-27-23-22-24-28-40)47-43(45)42-31-29-39(26-5-2)30-32-42/h22-24,27-36,38,41H,4-21,25-26,37H2,1-3H3