4-(7-chloranylsulfonyl-1-oxidanylidene-phthalazin-2-yl)butanoic acid

Systemtic Name: 4-(7-chloranylsulfonyl-1-oxidanylidene-phthalazin-2-yl)butanoic acid Openeye Name: 4-(7-chlorosulfonyl-1-oxo-phthalazin-2-yl)butanoic acid CAS Name: 4-(7-chlorosulfonyl-1-oxo-2-phthalazinyl)butanoic acid IUPAC Name: 4-(7-chlorosulfonyl-1-oxophthalazin-2-yl)butanoic acid Traditional Name: 4-(7-chlorosulfonyl-1-keto-phthalazin-2-yl)butyric acid Formula: C12H11ClN2O5S MolecularWeight: 330.74414

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1S(=O)(=O)Cl)C(=O)N(N=C2)CCCC(=O)O

Isomeric SMILES

C1=CC2=C(C=C1S(=O)(=O)Cl)C(=O)N(N=C2)CCCC(=O)O

InChI

InChI=1S/C12H11ClN2O5S/c13-21(19,20)9-4-3-8-7-14-15(5-1-2-11(16)17)12(18)10(8)6-9/h3-4,6-7H,1-2,5H2,(H,16,17)