1-[1,1,1-tris(chloranyl)-3-nitro-propan-2-yl]sulfanylbutane

Systemtic Name: 1-[1,1,1-tris(chloranyl)-3-nitro-propan-2-yl]sulfanylbutane Openeye Name: 1-[2,2,2-trichloro-1-(nitromethyl)ethyl]sulfanylbutane CAS Name: 1-[(1,1,1-trichloro-3-nitropropan-2-yl)thio]butane IUPAC Name: 1-(1,1,1-trichloro-3-nitropropan-2-yl)sulfanylbutane Traditional Name: 1-[[2,2,2-trichloro-1-(nitromethyl)ethyl]thio]butane Formula: C7H12Cl3NO2S MolecularWeight: 280.59968

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC(C[N+](=O)[O-])C(Cl)(Cl)Cl

Isomeric SMILES

CCCCSC(C[N+](=O)[O-])C(Cl)(Cl)Cl

InChI

InChI=1S/C7H12Cl3NO2S/c1-2-3-4-14-6(5-11(12)13)7(8,9)10/h6H,2-5H2,1H3