(4-chloranyl-1-oxidanylidene-phthalazin-2-yl)methylsulfanylphosphonic acid

Systemtic Name: (4-chloranyl-1-oxidanylidene-phthalazin-2-yl)methylsulfanylphosphonic acid Openeye Name: (4-chloro-1-oxo-phthalazin-2-yl)methylsulfanylphosphonic acid CAS Name: [(4-chloro-1-oxo-2-phthalazinyl)methylthio]phosphonic acid IUPAC Name: (4-chloro-1-oxophthalazin-2-yl)methylsulfanylphosphonic acid Traditional Name: [(4-chloro-1-keto-phthalazin-2-yl)methylthio]phosphonic acid Formula: C9H8ClN2O4PS MolecularWeight: 306.662581

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NN(C2=O)CSP(=O)(O)O)Cl

Isomeric SMILES

C1=CC=C2C(=C1)C(=NN(C2=O)CSP(=O)(O)O)Cl

InChI

InChI=1S/C9H8ClN2O4PS/c10-8-6-3-1-2-4-7(6)9(13)12(11-8)5-18-17(14,15)16/h1-4H,5H2,(H2,14,15,16)