1-(1-hexoxy-4-phenyl-cyclohexa-2,5-dien-1-yl)oxypropan-2-yl 4-methylhexanoate

Systemtic Name: 1-(1-hexoxy-4-phenyl-cyclohexa-2,5-dien-1-yl)oxypropan-2-yl 4-methylhexanoate Openeye Name: [2-(1-hexoxy-4-phenyl-cyclohexa-2,5-dien-1-yl)oxy-1-methyl-ethyl] 4-methylhexanoate CAS Name: 4-methylhexanoic acid 1-[(1-hexoxy-4-phenyl-1-cyclohexa-2,5-dienyl)oxy]propan-2-yl ester IUPAC Name: 1-(1-hexoxy-4-phenylcyclohexa-2,5-dien-1-yl)oxypropan-2-yl 4-methylhexanoate Traditional Name: 4-methylhexanoic acid [2-(1-hexoxy-4-phenyl-cyclohexa-2,5-dien-1-yl)oxy-1-methyl-ethyl] ester Formula: C28H42O4 MolecularWeight: 442.63068

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1(C=CC(C=C1)C2=CC=CC=C2)OCC(C)OC(=O)CCC(C)CC

Isomeric SMILES

CCCCCCOC1(C=CC(C=C1)C2=CC=CC=C2)OCC(C)OC(=O)CCC(C)CC

InChI

InChI=1S/C28H42O4/c1-5-7-8-12-21-30-28(19-17-26(18-20-28)25-13-10-9-11-14-25)31-22-24(4)32-27(29)16-15-23(3)6-2/h9-11,13-14,17-20,23-24,26H,5-8,12,15-16,21-22H2,1-4H3