methyl 3-[2-(6-phenylsulfanylhexylsulfanyl)phenyl]oxirane-2-carboxylate

Systemtic Name: methyl 3-[2-(6-phenylsulfanylhexylsulfanyl)phenyl]oxirane-2-carboxylate Openeye Name: methyl 3-[2-(6-phenylsulfanylhexylsulfanyl)phenyl]oxirane-2-carboxylate CAS Name: 3-[2-[6-(phenylthio)hexylthio]phenyl]-2-oxiranecarboxylic acid methyl ester IUPAC Name: methyl 3-[2-(6-phenylsulfanylhexylsulfanyl)phenyl]oxirane-2-carboxylate Traditional Name: 3-[2-[6-(phenylthio)hexylthio]phenyl]oxirane-2-carboxylic acid methyl ester Formula: C22H26O3S2 MolecularWeight: 402.57004

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1C(O1)C2=CC=CC=C2SCCCCCCSC3=CC=CC=C3

Isomeric SMILES

COC(=O)C1C(O1)C2=CC=CC=C2SCCCCCCSC3=CC=CC=C3

InChI

InChI=1S/C22H26O3S2/c1-24-22(23)21-20(25-21)18-13-7-8-14-19(18)27-16-10-3-2-9-15-26-17-11-5-4-6-12-17/h4-8,11-14,20-21H,2-3,9-10,15-16H2,1H3