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

Systemtic Name: 1-(1-octyl-4-phenyl-cyclohexa-2,5-dien-1-yl)oxypropan-2-yl propanoate Openeye Name: [1-methyl-2-(1-octyl-4-phenyl-cyclohexa-2,5-dien-1-yl)oxy-ethyl] propanoate CAS Name: propanoic 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 propanoate Traditional Name: propionic acid [1-methyl-2-(1-octyl-4-phenyl-cyclohexa-2,5-dien-1-yl)oxy-ethyl] ester Formula: C26H38O3 MolecularWeight: 398.57812

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H38O3/c1-4-6-7-8-9-13-18-26(28-21-22(3)29-25(27)5-2)19-16-24(17-20-26)23-14-11-10-12-15-23/h10-12,14-17,19-20,22,24H,4-9,13,18,21H2,1-3H3