2-(nitromethyl)-2-prop-2-enylsulfanyl-cyclohexan-1-one

Systemtic Name: 2-(nitromethyl)-2-prop-2-enylsulfanyl-cyclohexan-1-one Openeye Name: 2-allylsulfanyl-2-(nitromethyl)cyclohexanone CAS Name: 2-(nitromethyl)-2-(prop-2-enylthio)-1-cyclohexanone IUPAC Name: 2-(nitromethyl)-2-prop-2-enylsulfanylcyclohexan-1-one Traditional Name: 2-(allylthio)-2-(nitromethyl)cyclohexanone Formula: C10H15NO3S MolecularWeight: 229.296

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Descriptors Computed from Structure

Canonical SMILES:

C=CCSC1(CCCCC1=O)C[N+](=O)[O-]

Isomeric SMILES

C=CCSC1(CCCCC1=O)C[N+](=O)[O-]

InChI

InChI=1S/C10H15NO3S/c1-2-7-15-10(8-11(13)14)6-4-3-5-9(10)12/h2H,1,3-8H2