bis(1-bromoethyl)-[(5-nitrothiophen-2-yl)methyl]-phosphonato-azanium

Systemtic Name: bis(1-bromoethyl)-[(5-nitrothiophen-2-yl)methyl]-phosphonato-azanium Openeye Name: bis(1-bromoethyl)-[(5-nitro-2-thienyl)methyl]-phosphonato-ammonium CAS Name: bis(1-bromoethyl)-[(5-nitro-2-thiophenyl)methyl]-phosphonatoammonium IUPAC Name: bis(1-bromoethyl)-[(5-nitrothiophen-2-yl)methyl]-phosphonatoazanium Traditional Name: bis(1-bromoethyl)-[(5-nitro-2-thienyl)methyl]-phosphonato-ammonium Formula: C9H12Br2N2O5PS- MolecularWeight: 451.048741

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Descriptors Computed from Structure

Canonical SMILES:

CC([N+](CC1=CC=C(S1)[N+](=O)[O-])(C(C)Br)P(=O)([O-])[O-])Br

Isomeric SMILES

CC([N+](CC1=CC=C(S1)[N+](=O)[O-])(C(C)Br)P(=O)([O-])[O-])Br

InChI

InChI=1S/C9H13Br2N2O5PS/c1-6(10)13(7(2)11,19(16,17)18)5-8-3-4-9(20-8)12(14)15/h3-4,6-7H,5H2,1-2H3,(H-,16,17,18)/p-1