2,4-dimethyl-1-nitro-2-prop-2-enylsulfanyl-pentan-3-one

Systemtic Name: 2,4-dimethyl-1-nitro-2-prop-2-enylsulfanyl-pentan-3-one Openeye Name: 2-allylsulfanyl-2,4-dimethyl-1-nitro-pentan-3-one CAS Name: 2,4-dimethyl-1-nitro-2-(prop-2-enylthio)-3-pentanone IUPAC Name: 2,4-dimethyl-1-nitro-2-prop-2-enylsulfanylpentan-3-one Traditional Name: 2-(allylthio)-2,4-dimethyl-1-nitro-pentan-3-one Formula: C10H17NO3S MolecularWeight: 231.31188

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H17NO3S/c1-5-6-15-10(4,7-11(13)14)9(12)8(2)3/h5,8H,1,6-7H2,2-4H3