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

Systemtic Name: 1-(1-heptyl-4-phenyl-cyclohexa-2,5-dien-1-yl)oxypropan-2-yl hexanoate Openeye Name: [2-(1-heptyl-4-phenyl-cyclohexa-2,5-dien-1-yl)oxy-1-methyl-ethyl] hexanoate CAS Name: hexanoic acid 1-[(1-heptyl-4-phenyl-1-cyclohexa-2,5-dienyl)oxy]propan-2-yl ester IUPAC Name: 1-(1-heptyl-4-phenylcyclohexa-2,5-dien-1-yl)oxypropan-2-yl hexanoate Traditional Name: hexanoic acid [2-(1-heptyl-4-phenyl-cyclohexa-2,5-dien-1-yl)oxy-1-methyl-ethyl] ester Formula: C28H42O3 MolecularWeight: 426.63128

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1(C=CC(C=C1)C2=CC=CC=C2)OCC(C)OC(=O)CCCCC

Isomeric SMILES

CCCCCCCC1(C=CC(C=C1)C2=CC=CC=C2)OCC(C)OC(=O)CCCCC

InChI

InChI=1S/C28H42O3/c1-4-6-8-9-14-20-28(30-23-24(3)31-27(29)17-11-7-5-2)21-18-26(19-22-28)25-15-12-10-13-16-25/h10,12-13,15-16,18-19,21-22,24,26H,4-9,11,14,17,20,23H2,1-3H3