methyl (13S)-13-[2-[(1S,2R)-2-phenylcyclohexyl]oxypropan-2-ylperoxy]octadecanoate

Systemtic Name: methyl (13S)-13-[2-[(1S,2R)-2-phenylcyclohexyl]oxypropan-2-ylperoxy]octadecanoate Openeye Name: methyl (13S)-13-[1-methyl-1-[(1S,2R)-2-phenylcyclohexoxy]ethyl]peroxyoctadecanoate CAS Name: (13S)-13-[2-[(1S,2R)-2-phenylcyclohexyl]oxypropan-2-yldioxy]octadecanoic acid methyl ester IUPAC Name: methyl (13S)-13-[2-[(1S,2R)-2-phenylcyclohexyl]oxypropan-2-ylperoxy]octadecanoate Traditional Name: (13S)-13-[1-methyl-1-[(1S,2R)-2-phenylcyclohexoxy]ethyl]peroxystearic acid methyl ester Formula: C34H58O5 MolecularWeight: 546.82132

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(CCCCCCCCCCCC(=O)OC)OOC(C)(C)OC1CCCCC1C2=CC=CC=C2

Isomeric SMILES

CCCCC[C@@H](CCCCCCCCCCCC(=O)OC)OOC(C)(C)O[C@H]1CCCC[C@@H]1C2=CC=CC=C2

InChI

InChI=1S/C34H58O5/c1-5-6-15-24-30(25-18-12-10-8-7-9-11-13-19-28-33(35)36-4)38-39-34(2,3)37-32-27-21-20-26-31(32)29-22-16-14-17-23-29/h14,16-17,22-23,30-32H,5-13,15,18-21,24-28H2,1-4H3/t30-,31+,32-/m0/s1