2-[bromanyl(diphosphonato)methyl]sulfanyl-4-nitro-phenol

Systemtic Name: 2-[bromanyl(diphosphonato)methyl]sulfanyl-4-nitro-phenol Openeye Name: 2-[bromo(diphosphonato)methyl]sulfanyl-4-nitro-phenol CAS Name: 2-[[bromo(diphosphonato)methyl]thio]-4-nitrophenol IUPAC Name: 2-[bromo(diphosphonato)methyl]sulfanyl-4-nitrophenol Traditional Name: 2-[[bromo(diphosphonato)methyl]thio]-4-nitro-phenol Formula: C7H4BrNO9P2S-4 MolecularWeight: 420.024482

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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)/p-4