3-methyl-4-nitro-3-prop-2-enylsulfanyl-butan-2-one

Systemtic Name: 3-methyl-4-nitro-3-prop-2-enylsulfanyl-butan-2-one Openeye Name: 3-allylsulfanyl-3-methyl-4-nitro-butan-2-one CAS Name: 3-methyl-4-nitro-3-(prop-2-enylthio)-2-butanone IUPAC Name: 3-methyl-4-nitro-3-prop-2-enylsulfanylbutan-2-one Traditional Name: 3-(allylthio)-3-methyl-4-nitro-butan-2-one Formula: C8H13NO3S MolecularWeight: 203.25872

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H13NO3S/c1-4-5-13-8(3,7(2)10)6-9(11)12/h4H,1,5-6H2,2-3H3