1-(1-octyl-4-phenyl-cyclohexa-2,5-dien-1-yl)oxypropan-2-yl butanoate

Systemtic Name: 1-(1-octyl-4-phenyl-cyclohexa-2,5-dien-1-yl)oxypropan-2-yl butanoate Openeye Name: [1-methyl-2-(1-octyl-4-phenyl-cyclohexa-2,5-dien-1-yl)oxy-ethyl] butanoate CAS Name: butanoic acid 1-[(1-octyl-4-phenyl-1-cyclohexa-2,5-dienyl)oxy]propan-2-yl ester IUPAC Name: 1-(1-octyl-4-phenylcyclohexa-2,5-dien-1-yl)oxypropan-2-yl butanoate Traditional Name: butyric acid [1-methyl-2-(1-octyl-4-phenyl-cyclohexa-2,5-dien-1-yl)oxy-ethyl] ester Formula: C27H40O3 MolecularWeight: 412.6047

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1(C=CC(C=C1)C2=CC=CC=C2)OCC(C)OC(=O)CCC

Isomeric SMILES

CCCCCCCCC1(C=CC(C=C1)C2=CC=CC=C2)OCC(C)OC(=O)CCC

InChI

InChI=1S/C27H40O3/c1-4-6-7-8-9-13-19-27(29-22-23(3)30-26(28)14-5-2)20-17-25(18-21-27)24-15-11-10-12-16-24/h10-12,15-18,20-21,23,25H,4-9,13-14,19,22H2,1-3H3