[2-methyl-3-(1-octoxy-4-phenyl-cyclohexa-2,5-dien-1-yl)oxy-propyl] butanoate

Systemtic Name: [2-methyl-3-(1-octoxy-4-phenyl-cyclohexa-2,5-dien-1-yl)oxy-propyl] butanoate Openeye Name: [2-methyl-3-(1-octoxy-4-phenyl-cyclohexa-2,5-dien-1-yl)oxy-propyl] butanoate CAS Name: butanoic acid [2-methyl-3-[(1-octoxy-4-phenyl-1-cyclohexa-2,5-dienyl)oxy]propyl] ester IUPAC Name: [2-methyl-3-(1-octoxy-4-phenylcyclohexa-2,5-dien-1-yl)oxypropyl] butanoate Traditional Name: butyric acid [2-methyl-3-(1-octoxy-4-phenyl-cyclohexa-2,5-dien-1-yl)oxy-propyl] ester Formula: C28H42O4 MolecularWeight: 442.63068

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1(C=CC(C=C1)C2=CC=CC=C2)OCC(C)COC(=O)CCC

Isomeric SMILES

CCCCCCCCOC1(C=CC(C=C1)C2=CC=CC=C2)OCC(C)COC(=O)CCC

InChI

InChI=1S/C28H42O4/c1-4-6-7-8-9-13-21-31-28(32-23-24(3)22-30-27(29)14-5-2)19-17-26(18-20-28)25-15-11-10-12-16-25/h10-12,15-20,24,26H,4-9,13-14,21-23H2,1-3H3