2-[1-(2-chloranyl-5-nitro-phenyl)-2-nitro-butyl]sulfanylethanamine

Systemtic Name: 2-[1-(2-chloranyl-5-nitro-phenyl)-2-nitro-butyl]sulfanylethanamine Openeye Name: 2-[1-(2-chloro-5-nitro-phenyl)-2-nitro-butyl]sulfanylethanamine CAS Name: 2-[[1-(2-chloro-5-nitrophenyl)-2-nitrobutyl]thio]ethanamine IUPAC Name: 2-[1-(2-chloro-5-nitrophenyl)-2-nitrobutyl]sulfanylethanamine Traditional Name: 2-[[1-(2-chloro-5-nitro-phenyl)-2-nitro-butyl]thio]ethylamine Formula: C12H16ClN3O4S MolecularWeight: 333.79114

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H16ClN3O4S/c1-2-11(16(19)20)12(21-6-5-14)9-7-8(15(17)18)3-4-10(9)13/h3-4,7,11-12H,2,5-6,14H2,1H3