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

Systemtic Name: 1-(1-octoxy-4-phenyl-cyclohexa-2,5-dien-1-yl)oxypropan-2-yl 5-oxidanylidenehexanoate Openeye Name: [1-methyl-2-(1-octoxy-4-phenyl-cyclohexa-2,5-dien-1-yl)oxy-ethyl] 5-oxohexanoate CAS Name: 5-oxohexanoic 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 5-oxohexanoate Traditional Name: 5-ketohexanoic acid [1-methyl-2-(1-octoxy-4-phenyl-cyclohexa-2,5-dien-1-yl)oxy-ethyl] ester Formula: C29H42O5 MolecularWeight: 470.64078

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H42O5/c1-4-5-6-7-8-12-22-32-29(20-18-27(19-21-29)26-15-10-9-11-16-26)33-23-25(3)34-28(31)17-13-14-24(2)30/h9-11,15-16,18-21,25,27H,4-8,12-14,17,22-23H2,1-3H3