4-(nitromethyl)-4-prop-2-enylsulfanyl-heptan-3-one

Systemtic Name: 4-(nitromethyl)-4-prop-2-enylsulfanyl-heptan-3-one Openeye Name: 4-allylsulfanyl-4-(nitromethyl)heptan-3-one CAS Name: 4-(nitromethyl)-4-(prop-2-enylthio)-3-heptanone IUPAC Name: 4-(nitromethyl)-4-prop-2-enylsulfanylheptan-3-one Traditional Name: 4-(allylthio)-4-(nitromethyl)heptan-3-one Formula: C11H19NO3S MolecularWeight: 245.33846

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H19NO3S/c1-4-7-11(9-12(14)15,10(13)6-3)16-8-5-2/h5H,2,4,6-9H2,1,3H3