8-phenylmethoxy-1-(2-sulfanylethylsulfanyl)octan-4-one

Systemtic Name: 8-phenylmethoxy-1-(2-sulfanylethylsulfanyl)octan-4-one Openeye Name: 8-benzyloxy-1-(2-sulfanylethylsulfanyl)octan-4-one CAS Name: 1-(2-mercaptoethylthio)-8-phenylmethoxy-4-octanone IUPAC Name: 8-phenylmethoxy-1-(2-sulfanylethylsulfanyl)octan-4-one Traditional Name: 8-benzoxy-1-(2-mercaptoethylthio)octan-4-one Formula: C17H26O2S2 MolecularWeight: 326.51714

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COCCCCC(=O)CCCSCCS

Isomeric SMILES

C1=CC=C(C=C1)COCCCCC(=O)CCCSCCS

InChI

InChI=1S/C17H26O2S2/c18-17(10-6-13-21-14-12-20)9-4-5-11-19-15-16-7-2-1-3-8-16/h1-3,7-8,20H,4-6,9-15H2