(4-methylsulfonylphenyl)diazane; 5-oxidanylindene-1,2,3-trione; hydrate; hydrochloride

Systemtic Name: (4-methylsulfonylphenyl)diazane; 5-oxidanylindene-1,2,3-trione; hydrate; hydrochloride Openeye Name: 5-hydroxyindane-1,2,3-trione; (4-methylsulfonylphenyl)hydrazine; hydrate; hydrochloride CAS Name: 5-hydroxyindene-1,2,3-trione; (4-methylsulfonylphenyl)hydrazine; hydrate; hydrochloride IUPAC Name: 5-hydroxyindene-1,2,3-trione; (4-methylsulfonylphenyl)hydrazine; hydrate; hydrochloride Traditional Name: 5-hydroxyindane-1,2,3-trione; (4-mesylphenyl)hydrazine; hydrate; hydrochloride Formula: C16H17ClN2O7S MolecularWeight: 416.83338

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)NN.C1=CC2=C(C=C1O)C(=O)C(=O)C2=O.O.Cl

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)NN.C1=CC2=C(C=C1O)C(=O)C(=O)C2=O.O.Cl

InChI

InChI=1S/C9H4O4.C7H10N2O2S.ClH.H2O/c10-4-1-2-5-6(3-4)8(12)9(13)7(5)11;1-12(10,11)7-4-2-6(9-8)3-5-7;;/h1-3,10H;2-5,9H,8H2,1H3;1H;1H2