7-[S-methyl-N-(4-methylphenyl)sulfonyl-sulfonimidoyl]-9-oxidanylidene-xanthene-2-carboxylic acid

Systemtic Name: 7-[S-methyl-N-(4-methylphenyl)sulfonyl-sulfonimidoyl]-9-oxidanylidene-xanthene-2-carboxylic acid Openeye Name: 7-[S-methyl-N-(p-tolylsulfonyl)sulfonimidoyl]-9-oxo-xanthene-2-carboxylic acid CAS Name: 7-[S-methyl-N-(4-methylphenyl)sulfonylsulfonimidoyl]-9-oxo-2-xanthenecarboxylic acid IUPAC Name: 7-[S-methyl-N-(4-methylphenyl)sulfonylsulfonimidoyl]-9-oxoxanthene-2-carboxylic acid Traditional Name: 9-keto-7-(S-methyl-N-tosyl-sulfonimidoyl)xanthene-2-carboxylic acid Formula: C22H17NO7S2 MolecularWeight: 471.50288

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N=S(=O)(C)C2=CC3=C(C=C2)OC4=C(C3=O)C=C(C=C4)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N=S(=O)(C)C2=CC3=C(C=C2)OC4=C(C3=O)C=C(C=C4)C(=O)O

InChI

InChI=1S/C22H17NO7S2/c1-13-3-6-15(7-4-13)32(28,29)23-31(2,27)16-8-10-20-18(12-16)21(24)17-11-14(22(25)26)5-9-19(17)30-20/h3-12H,1-2H3,(H,25,26)