2-methyl-1-nitro-2-prop-2-enylsulfanyl-pentan-3-one

Systemtic Name: 2-methyl-1-nitro-2-prop-2-enylsulfanyl-pentan-3-one Openeye Name: 2-allylsulfanyl-2-methyl-1-nitro-pentan-3-one CAS Name: 2-methyl-1-nitro-2-(prop-2-enylthio)-3-pentanone IUPAC Name: 2-methyl-1-nitro-2-prop-2-enylsulfanylpentan-3-one Traditional Name: 2-(allylthio)-2-methyl-1-nitro-pentan-3-one Formula: C9H15NO3S MolecularWeight: 217.2853

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H15NO3S/c1-4-6-14-9(3,7-10(12)13)8(11)5-2/h4H,1,5-7H2,2-3H3