1-(1-octoxy-4-phenyl-cyclohexa-2,5-dien-1-yl)oxypropan-2-yl nonanoate

Systemtic Name: 1-(1-octoxy-4-phenyl-cyclohexa-2,5-dien-1-yl)oxypropan-2-yl nonanoate Openeye Name: [1-methyl-2-(1-octoxy-4-phenyl-cyclohexa-2,5-dien-1-yl)oxy-ethyl] nonanoate CAS Name: nonanoic acid 1-[(1-octoxy-4-phenyl-1-cyclohexa-2,5-dienyl)oxy]propan-2-yl ester IUPAC Name: 1-(1-octoxy-4-phenylcyclohexa-2,5-dien-1-yl)oxypropan-2-yl nonanoate Traditional Name: pelargonic acid [1-methyl-2-(1-octoxy-4-phenyl-cyclohexa-2,5-dien-1-yl)oxy-ethyl] ester Formula: C32H50O4 MolecularWeight: 498.737

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC(=O)OC(C)COC1(C=CC(C=C1)C2=CC=CC=C2)OCCCCCCCC

Isomeric SMILES

CCCCCCCCC(=O)OC(C)COC1(C=CC(C=C1)C2=CC=CC=C2)OCCCCCCCC

InChI

InChI=1S/C32H50O4/c1-4-6-8-10-12-17-21-31(33)36-28(3)27-35-32(34-26-18-13-11-9-7-5-2)24-22-30(23-25-32)29-19-15-14-16-20-29/h14-16,19-20,22-25,28,30H,4-13,17-18,21,26-27H2,1-3H3