3-(nitromethyl)-3-prop-2-enylsulfanyl-pentan-2-one

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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