2,3-bis(oxidanyl)-3-phosphono-propanoate; 3-chloranyl-4-(3-chloranyl-2-nitro-phenyl)-1H-pyrrole

Systemtic Name: 2,3-bis(oxidanyl)-3-phosphono-propanoate; 3-chloranyl-4-(3-chloranyl-2-nitro-phenyl)-1H-pyrrole Openeye Name: 3-chloro-4-(3-chloro-2-nitro-phenyl)-1H-pyrrole; 2,3-dihydroxy-3-phosphono-propanoate CAS Name: 3-chloro-4-(3-chloro-2-nitrophenyl)-1H-pyrrole; 2,3-dihydroxy-3-phosphonopropanoate IUPAC Name: 3-chloro-4-(3-chloro-2-nitrophenyl)-1H-pyrrole; 2,3-dihydroxy-3-phosphonopropanoate Traditional Name: 3-chloro-4-(3-chloro-2-nitro-phenyl)-1H-pyrrole; 2,3-dihydroxy-3-phosphono-propionate Formula: C13H12Cl2N2O9P- MolecularWeight: 442.122141

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C(=C1)Cl)[N+](=O)[O-])C2=CNC=C2Cl.C(C(O)P(=O)(O)O)(C(=O)[O-])O

Isomeric SMILES

C1=CC(=C(C(=C1)Cl)[N+](=O)[O-])C2=CNC=C2Cl.C(C(O)P(=O)(O)O)(C(=O)[O-])O

InChI

InChI=1S/C10H6Cl2N2O2.C3H7O7P/c11-8-3-1-2-6(10(8)14(15)16)7-4-13-5-9(7)12;4-1(2(5)6)3(7)11(8,9)10/h1-5,13H;1,3-4,7H,(H,5,6)(H2,8,9,10)/p-1