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

Systemtic Name: 1-(1-pentyl-4-phenyl-cyclohexa-2,5-dien-1-yl)oxypropan-2-yl hexanoate Openeye Name: [1-methyl-2-(1-pentyl-4-phenyl-cyclohexa-2,5-dien-1-yl)oxy-ethyl] hexanoate CAS Name: hexanoic 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 hexanoate Traditional Name: hexanoic acid [2-(1-amyl-4-phenyl-cyclohexa-2,5-dien-1-yl)oxy-1-methyl-ethyl] ester Formula: C26H38O3 MolecularWeight: 398.57812

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H38O3/c1-4-6-9-15-25(27)29-22(3)21-28-26(18-12-7-5-2)19-16-24(17-20-26)23-13-10-8-11-14-23/h8,10-11,13-14,16-17,19-20,22,24H,4-7,9,12,15,18,21H2,1-3H3