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

Systemtic Name: 1-(4-phenyl-1-undecoxy-cyclohexa-2,5-dien-1-yl)oxypropan-2-yl octanoate Openeye Name: [1-methyl-2-(4-phenyl-1-undecoxy-cyclohexa-2,5-dien-1-yl)oxy-ethyl] octanoate CAS Name: octanoic acid 1-[(4-phenyl-1-undecoxy-1-cyclohexa-2,5-dienyl)oxy]propan-2-yl ester IUPAC Name: 1-(4-phenyl-1-undecoxycyclohexa-2,5-dien-1-yl)oxypropan-2-yl octanoate Traditional Name: caprylic acid [1-methyl-2-(4-phenyl-1-undecoxy-cyclohexa-2,5-dien-1-yl)oxy-ethyl] ester Formula: C34H54O4 MolecularWeight: 526.79016

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCOC1(C=CC(C=C1)C2=CC=CC=C2)OCC(C)OC(=O)CCCCCCC

Isomeric SMILES

CCCCCCCCCCCOC1(C=CC(C=C1)C2=CC=CC=C2)OCC(C)OC(=O)CCCCCCC

InChI

InChI=1S/C34H54O4/c1-4-6-8-10-11-12-13-15-20-28-36-34(26-24-32(25-27-34)31-21-17-16-18-22-31)37-29-30(3)38-33(35)23-19-14-9-7-5-2/h16-18,21-22,24-27,30,32H,4-15,19-20,23,28-29H2,1-3H3