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

Systemtic Name: 1-(1-heptyl-4-phenyl-cyclohexa-2,5-dien-1-yl)oxypropan-2-yl octanoate Openeye Name: [2-(1-heptyl-4-phenyl-cyclohexa-2,5-dien-1-yl)oxy-1-methyl-ethyl] octanoate CAS Name: octanoic 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 octanoate Traditional Name: caprylic acid [2-(1-heptyl-4-phenyl-cyclohexa-2,5-dien-1-yl)oxy-1-methyl-ethyl] ester Formula: C30H46O3 MolecularWeight: 454.68444

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H46O3/c1-4-6-8-10-15-19-29(31)33-26(3)25-32-30(22-16-11-9-7-5-2)23-20-28(21-24-30)27-17-13-12-14-18-27/h12-14,17-18,20-21,23-24,26,28H,4-11,15-16,19,22,25H2,1-3H3