(5-bromanyl-4-chloranyl-indol-1-yl) hydrogen phosphate; 2H-1,2,3,4-tetrazol-1-ium

Systemtic Name: (5-bromanyl-4-chloranyl-indol-1-yl) hydrogen phosphate; 2H-1,2,3,4-tetrazol-1-ium Openeye Name: (5-bromo-4-chloro-indol-1-yl) hydrogen phosphate; 2H-tetrazol-1-ium CAS Name: (5-bromo-4-chloro-1-indolyl) hydrogen phosphate; 2H-tetrazol-1-ium IUPAC Name: (5-bromo-4-chloroindol-1-yl) hydrogen phosphate; 2H-tetrazol-1-ium Traditional Name: (5-bromo-4-chloro-indol-1-yl) hydrogen phosphate; 2H-tetrazol-1-ium Formula: C9H8BrClN5O4P MolecularWeight: 396.521681

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C2=C1N(C=C2)OP(=O)(O)[O-])Cl)Br.C1=[NH+]NN=N1

Isomeric SMILES

C1=CC(=C(C2=C1N(C=C2)OP(=O)(O)[O-])Cl)Br.C1=[NH+]NN=N1

InChI

InChI=1S/C8H6BrClNO4P.CH2N4/c9-6-1-2-7-5(8(6)10)3-4-11(7)15-16(12,13)14;1-2-4-5-3-1/h1-4H,(H2,12,13,14);1H,(H,2,3,4,5)