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

Systemtic Name: 1-(1-octoxy-4-phenyl-cyclohexa-2,5-dien-1-yl)oxypropan-2-yl hexanoate Openeye Name: [1-methyl-2-(1-octoxy-4-phenyl-cyclohexa-2,5-dien-1-yl)oxy-ethyl] hexanoate CAS Name: hexanoic 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 hexanoate Traditional Name: hexanoic acid [1-methyl-2-(1-octoxy-4-phenyl-cyclohexa-2,5-dien-1-yl)oxy-ethyl] ester Formula: C29H44O4 MolecularWeight: 456.65726

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H44O4/c1-4-6-8-9-10-15-23-31-29(32-24-25(3)33-28(30)18-12-7-5-2)21-19-27(20-22-29)26-16-13-11-14-17-26/h11,13-14,16-17,19-22,25,27H,4-10,12,15,18,23-24H2,1-3H3