4,4-bis(methylsulfanyl)-3-nitro-but-3-en-2-one

Systemtic Name: 4,4-bis(methylsulfanyl)-3-nitro-but-3-en-2-one Openeye Name: 4,4-bis(methylsulfanyl)-3-nitro-but-3-en-2-one CAS Name: 4,4-bis(methylthio)-3-nitro-3-buten-2-one IUPAC Name: 4,4-bis(methylsulfanyl)-3-nitrobut-3-en-2-one Traditional Name: 4,4-bis(methylthio)-3-nitro-but-3-en-2-one Formula: C6H9NO3S2 MolecularWeight: 207.27056

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C6H9NO3S2/c1-4(8)5(7(9)10)6(11-2)12-3/h1-3H3