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

Systemtic Name: 1-(1-octyl-4-phenyl-cyclohexa-2,5-dien-1-yl)oxypropan-2-yl octanoate Openeye Name: [1-methyl-2-(1-octyl-4-phenyl-cyclohexa-2,5-dien-1-yl)oxy-ethyl] octanoate CAS Name: octanoic acid 1-[(1-octyl-4-phenyl-1-cyclohexa-2,5-dienyl)oxy]propan-2-yl ester IUPAC Name: 1-(1-octyl-4-phenylcyclohexa-2,5-dien-1-yl)oxypropan-2-yl octanoate Traditional Name: caprylic acid [1-methyl-2-(1-octyl-4-phenyl-cyclohexa-2,5-dien-1-yl)oxy-ethyl] ester Formula: C31H48O3 MolecularWeight: 468.71102

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1(C=CC(C=C1)C2=CC=CC=C2)OCC(C)OC(=O)CCCCCCC

Isomeric SMILES

CCCCCCCCC1(C=CC(C=C1)C2=CC=CC=C2)OCC(C)OC(=O)CCCCCCC

InChI

InChI=1S/C31H48O3/c1-4-6-8-10-12-17-23-31(24-21-29(22-25-31)28-18-14-13-15-19-28)33-26-27(3)34-30(32)20-16-11-9-7-5-2/h13-15,18-19,21-22,24-25,27,29H,4-12,16-17,20,23,26H2,1-3H3