1,1-bis(methylsulfanyl)-2-nitro-hex-1-en-3-one

Systemtic Name: 1,1-bis(methylsulfanyl)-2-nitro-hex-1-en-3-one Openeye Name: 1,1-bis(methylsulfanyl)-2-nitro-hex-1-en-3-one CAS Name: 1,1-bis(methylthio)-2-nitro-1-hexen-3-one IUPAC Name: 1,1-bis(methylsulfanyl)-2-nitrohex-1-en-3-one Traditional Name: 1,1-bis(methylthio)-2-nitro-hex-1-en-3-one Formula: C8H13NO3S2 MolecularWeight: 235.32372

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)C(=C(SC)SC)[N+](=O)[O-]

Isomeric SMILES

CCCC(=O)C(=C(SC)SC)[N+](=O)[O-]

InChI

InChI=1S/C8H13NO3S2/c1-4-5-6(10)7(9(11)12)8(13-2)14-3/h4-5H2,1-3H3