1-(1-pentyl-4-phenyl-cyclohexa-2,5-dien-1-yl)oxypropan-2-yl octanoate

Systemtic Name: 1-(1-pentyl-4-phenyl-cyclohexa-2,5-dien-1-yl)oxypropan-2-yl octanoate Openeye Name: [1-methyl-2-(1-pentyl-4-phenyl-cyclohexa-2,5-dien-1-yl)oxy-ethyl] octanoate CAS Name: octanoic acid 1-[(1-pentyl-4-phenyl-1-cyclohexa-2,5-dienyl)oxy]propan-2-yl ester IUPAC Name: 1-(1-pentyl-4-phenylcyclohexa-2,5-dien-1-yl)oxypropan-2-yl octanoate Traditional Name: caprylic acid [2-(1-amyl-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:

CCCCCCCC(=O)OC(C)COC1(C=CC(C=C1)C2=CC=CC=C2)CCCCC

Isomeric SMILES

CCCCCCCC(=O)OC(C)COC1(C=CC(C=C1)C2=CC=CC=C2)CCCCC

InChI

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