2-but-3-enylsulfanyl-3-methyl-1-nitro-butane

Systemtic Name: 2-but-3-enylsulfanyl-3-methyl-1-nitro-butane Openeye Name: 2-but-3-enylsulfanyl-3-methyl-1-nitro-butane CAS Name: 2-(but-3-enylthio)-3-methyl-1-nitrobutane IUPAC Name: 2-but-3-enylsulfanyl-3-methyl-1-nitrobutane Traditional Name: 2-(but-3-enylthio)-3-methyl-1-nitro-butane Formula: C9H17NO2S MolecularWeight: 203.30178

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H17NO2S/c1-4-5-6-13-9(8(2)3)7-10(11)12/h4,8-9H,1,5-7H2,2-3H3