1-[1,3-bis(methylsulfanyl)-2-(methylsulfanylmethyl)propan-2-yl]-4-nitro-benzene

Systemtic Name: 1-[1,3-bis(methylsulfanyl)-2-(methylsulfanylmethyl)propan-2-yl]-4-nitro-benzene Openeye Name: 1-[2-methylsulfanyl-1,1-bis(methylsulfanylmethyl)ethyl]-4-nitro-benzene CAS Name: 1-[1,3-bis(methylthio)-2-[(methylthio)methyl]propan-2-yl]-4-nitrobenzene IUPAC Name: 1-[1,3-bis(methylsulfanyl)-2-(methylsulfanylmethyl)propan-2-yl]-4-nitrobenzene Traditional Name: 1-[2-(methylthio)-1,1-bis[(methylthio)methyl]ethyl]-4-nitro-benzene Formula: C13H19NO2S3 MolecularWeight: 317.49046

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Descriptors Computed from Structure

Canonical SMILES:

CSCC(CSC)(CSC)C1=CC=C(C=C1)[N+](=O)[O-]

Isomeric SMILES

CSCC(CSC)(CSC)C1=CC=C(C=C1)[N+](=O)[O-]

InChI

InChI=1S/C13H19NO2S3/c1-17-8-13(9-18-2,10-19-3)11-4-6-12(7-5-11)14(15)16/h4-7H,8-10H2,1-3H3