3-(2-ethylsulfonylethyl)-4-oxidanylidene-phthalazine-1-carboxylic acid

Systemtic Name: 3-(2-ethylsulfonylethyl)-4-oxidanylidene-phthalazine-1-carboxylic acid Openeye Name: 3-(2-ethylsulfonylethyl)-4-oxo-phthalazine-1-carboxylic acid CAS Name: 3-(2-ethylsulfonylethyl)-4-oxo-1-phthalazinecarboxylic acid IUPAC Name: 3-(2-ethylsulfonylethyl)-4-oxophthalazine-1-carboxylic acid Traditional Name: 3-(2-esylethyl)-4-keto-phthalazine-1-carboxylic acid Formula: C13H14N2O5S MolecularWeight: 310.32566

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)CCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)O

Isomeric SMILES

CCS(=O)(=O)CCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)O

InChI

InChI=1S/C13H14N2O5S/c1-2-21(19,20)8-7-15-12(16)10-6-4-3-5-9(10)11(14-15)13(17)18/h3-6H,2,7-8H2,1H3,(H,17,18)