2-[1-[2,6-bis(chloranyl)phenyl]-2-nitro-butyl]sulfanylethanamine

Systemtic Name: 2-[1-[2,6-bis(chloranyl)phenyl]-2-nitro-butyl]sulfanylethanamine Openeye Name: 2-[1-(2,6-dichlorophenyl)-2-nitro-butyl]sulfanylethanamine CAS Name: 2-[[1-(2,6-dichlorophenyl)-2-nitrobutyl]thio]ethanamine IUPAC Name: 2-[1-(2,6-dichlorophenyl)-2-nitrobutyl]sulfanylethanamine Traditional Name: 2-[[1-(2,6-dichlorophenyl)-2-nitro-butyl]thio]ethylamine Formula: C12H16Cl2N2O2S MolecularWeight: 323.23864

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(C1=C(C=CC=C1Cl)Cl)SCCN)[N+](=O)[O-]

Isomeric SMILES

CCC(C(C1=C(C=CC=C1Cl)Cl)SCCN)[N+](=O)[O-]

InChI

InChI=1S/C12H16Cl2N2O2S/c1-2-10(16(17)18)12(19-7-6-15)11-8(13)4-3-5-9(11)14/h3-5,10,12H,2,6-7,15H2,1H3