1-(1-octoxy-4-phenyl-cyclohexa-2,5-dien-1-yl)oxypropan-2-yl ethanoate

Systemtic Name: 1-(1-octoxy-4-phenyl-cyclohexa-2,5-dien-1-yl)oxypropan-2-yl ethanoate Openeye Name: [1-methyl-2-(1-octoxy-4-phenyl-cyclohexa-2,5-dien-1-yl)oxy-ethyl] acetate CAS Name: acetic acid 1-[(1-octoxy-4-phenyl-1-cyclohexa-2,5-dienyl)oxy]propan-2-yl ester IUPAC Name: 1-(1-octoxy-4-phenylcyclohexa-2,5-dien-1-yl)oxypropan-2-yl acetate Traditional Name: acetic acid [1-methyl-2-(1-octoxy-4-phenyl-cyclohexa-2,5-dien-1-yl)oxy-ethyl] ester Formula: C25H36O4 MolecularWeight: 400.55094

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1(C=CC(C=C1)C2=CC=CC=C2)OCC(C)OC(=O)C

Isomeric SMILES

CCCCCCCCOC1(C=CC(C=C1)C2=CC=CC=C2)OCC(C)OC(=O)C

InChI

InChI=1S/C25H36O4/c1-4-5-6-7-8-12-19-27-25(28-20-21(2)29-22(3)26)17-15-24(16-18-25)23-13-10-9-11-14-23/h9-11,13-18,21,24H,4-8,12,19-20H2,1-3H3