[bromanyl-(5-nitro-2-oxidanyl-phenyl)sulfanyl-phosphono-methyl]phosphonic acid

Systemtic Name: [bromanyl-(5-nitro-2-oxidanyl-phenyl)sulfanyl-phosphono-methyl]phosphonic acid Openeye Name: [bromo-(2-hydroxy-5-nitro-phenyl)sulfanyl-phosphono-methyl]phosphonic acid CAS Name: [bromo-[(2-hydroxy-5-nitrophenyl)thio]-phosphonomethyl]phosphonic acid IUPAC Name: [bromo-(2-hydroxy-5-nitrophenyl)sulfanyl-phosphonomethyl]phosphonic acid Traditional Name: [bromo-[(2-hydroxy-5-nitro-phenyl)thio]-phosphono-methyl]phosphonic acid Formula: C7H8BrNO9P2S MolecularWeight: 424.056242

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1[N+](=O)[O-])SC(P(=O)(O)O)(P(=O)(O)O)Br)O

Isomeric SMILES

C1=CC(=C(C=C1[N+](=O)[O-])SC(P(=O)(O)O)(P(=O)(O)O)Br)O

InChI

InChI=1S/C7H8BrNO9P2S/c8-7(19(13,14)15,20(16,17)18)21-6-3-4(9(11)12)1-2-5(6)10/h1-3,10H,(H2,13,14,15)(H2,16,17,18)