2-[1-[2,6-bis(chloranyl)-3-nitro-phenyl]-2-nitro-butyl]sulfanylethanamine

Systemtic Name: 2-[1-[2,6-bis(chloranyl)-3-nitro-phenyl]-2-nitro-butyl]sulfanylethanamine Openeye Name: 2-[1-(2,6-dichloro-3-nitro-phenyl)-2-nitro-butyl]sulfanylethanamine CAS Name: 2-[[1-(2,6-dichloro-3-nitrophenyl)-2-nitrobutyl]thio]ethanamine IUPAC Name: 2-[1-(2,6-dichloro-3-nitrophenyl)-2-nitrobutyl]sulfanylethanamine Traditional Name: 2-[[1-(2,6-dichloro-3-nitro-phenyl)-2-nitro-butyl]thio]ethylamine Formula: C12H15Cl2N3O4S MolecularWeight: 368.2362

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H15Cl2N3O4S/c1-2-8(16(18)19)12(22-6-5-15)10-7(13)3-4-9(11(10)14)17(20)21/h3-4,8,12H,2,5-6,15H2,1H3