(1-but-3-enylsulfanyl-2-nitro-ethyl)benzene

Systemtic Name: (1-but-3-enylsulfanyl-2-nitro-ethyl)benzene Openeye Name: (1-but-3-enylsulfanyl-2-nitro-ethyl)benzene CAS Name: [1-(but-3-enylthio)-2-nitroethyl]benzene IUPAC Name: (1-but-3-enylsulfanyl-2-nitroethyl)benzene Traditional Name: [1-(but-3-enylthio)-2-nitro-ethyl]benzene Formula: C12H15NO2S MolecularWeight: 237.318

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Descriptors Computed from Structure

Canonical SMILES:

C=CCCSC(C[N+](=O)[O-])C1=CC=CC=C1

Isomeric SMILES

C=CCCSC(C[N+](=O)[O-])C1=CC=CC=C1

InChI

InChI=1S/C12H15NO2S/c1-2-3-9-16-12(10-13(14)15)11-7-5-4-6-8-11/h2,4-8,12H,1,3,9-10H2