6-ethylsulfonyl-2-methyl-3-oxidanylidene-4H-1,4-benzoxazine-2-carboxylic acid hydrate

Systemtic Name: 6-ethylsulfonyl-2-methyl-3-oxidanylidene-4H-1,4-benzoxazine-2-carboxylic acid hydrate Openeye Name: 6-ethylsulfonyl-2-methyl-3-oxo-4H-1,4-benzoxazine-2-carboxylic acid hydrate CAS Name: 6-ethylsulfonyl-2-methyl-3-oxo-4H-1,4-benzoxazine-2-carboxylic acid hydrate IUPAC Name: 6-ethylsulfonyl-2-methyl-3-oxo-4H-1,4-benzoxazine-2-carboxylic acid hydrate Traditional Name: 6-esyl-3-keto-2-methyl-4H-1,4-benzoxazine-2-carboxylic acid hydrate Formula: C12H15NO7S MolecularWeight: 317.315

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)C1=CC2=C(C=C1)OC(C(=O)N2)(C)C(=O)O.O

Isomeric SMILES

CCS(=O)(=O)C1=CC2=C(C=C1)OC(C(=O)N2)(C)C(=O)O.O

InChI

InChI=1S/C12H13NO6S.H2O/c1-3-20(17,18)7-4-5-9-8(6-7)13-10(14)12(2,19-9)11(15)16;/h4-6H,3H2,1-2H3,(H,13,14)(H,15,16);1H2