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

Systemtic Name: indene-1,2,3-trione; (4-methylsulfonylphenyl)diazane; hydrate; hydrochloride Openeye Name: indane-1,2,3-trione; (4-methylsulfonylphenyl)hydrazine; hydrate; hydrochloride CAS Name: indene-1,2,3-trione; (4-methylsulfonylphenyl)hydrazine; hydrate; hydrochloride IUPAC Name: indene-1,2,3-trione; (4-methylsulfonylphenyl)hydrazine; hydrate; hydrochloride Traditional Name: indane-1,2,3-trione; (4-mesylphenyl)hydrazine; hydrate; hydrochloride Formula: C16H17ClN2O6S MolecularWeight: 400.83398

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)NN.C1=CC=C2C(=C1)C(=O)C(=O)C2=O.O.Cl

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)NN.C1=CC=C2C(=C1)C(=O)C(=O)C2=O.O.Cl

InChI

InChI=1S/C9H4O3.C7H10N2O2S.ClH.H2O/c10-7-5-3-1-2-4-6(5)8(11)9(7)12;1-12(10,11)7-4-2-6(9-8)3-5-7;;/h1-4H;2-5,9H,8H2,1H3;1H;1H2