dilithium 3-(4-methylsulfonylbutan-2-ylsulfonylamino)-4-sulfinatooxy-benzenesulfonate

Systemtic Name: dilithium 3-(4-methylsulfonylbutan-2-ylsulfonylamino)-4-sulfinatooxy-benzenesulfonate Openeye Name: dilithium 3-[(1-methyl-3-methylsulfonyl-propyl)sulfonylamino]-4-sulfinatooxy-benzenesulfonate CAS Name: dilithium 3-(4-methylsulfonylbutan-2-ylsulfonylamino)-4-sulfinatooxybenzenesulfonate IUPAC Name: dilithium 3-(4-methylsulfonylbutan-2-ylsulfonylamino)-4-sulfinatooxybenzenesulfonate Traditional Name: dilithium 3-[(3-mesyl-1-methyl-propyl)sulfonylamino]-4-sulfito-besylate Formula: C11H15Li2NO10S4 MolecularWeight: 463.3795

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Descriptors Computed from Structure

Canonical SMILES:

[Li+].[Li+].CC(CCS(=O)(=O)C)S(=O)(=O)NC1=C(C=CC(=C1)S(=O)(=O)[O-])OS(=O)[O-]

Isomeric SMILES

[Li+].[Li+].CC(CCS(=O)(=O)C)S(=O)(=O)NC1=C(C=CC(=C1)S(=O)(=O)[O-])OS(=O)[O-]

InChI

InChI=1S/C11H17NO10S4.2Li/c1-8(5-6-24(2,15)16)25(17,18)12-10-7-9(26(19,20)21)3-4-11(10)22-23(13)14;;/h3-4,7-8,12H,5-6H2,1-2H3,(H,13,14)(H,19,20,21);;/q;2*+1/p-2