2-[4,5-dimethyl-6-oxidanyl-3-oxidanylidene-2-(pyridin-2-ylsulfonylamino)-7-(pyridin-2-ylsulfonylmethyl)xanthen-9-yl]benzoic acid

Systemtic Name: 2-[4,5-dimethyl-6-oxidanyl-3-oxidanylidene-2-(pyridin-2-ylsulfonylamino)-7-(pyridin-2-ylsulfonylmethyl)xanthen-9-yl]benzoic acid Openeye Name: 2-[6-hydroxy-4,5-dimethyl-3-oxo-2-(2-pyridylsulfonylamino)-7-(2-pyridylsulfonylmethyl)xanthen-9-yl]benzoic acid CAS Name: 2-[6-hydroxy-4,5-dimethyl-3-oxo-2-(2-pyridinylsulfonylamino)-7-(2-pyridinylsulfonylmethyl)-9-xanthenyl]benzoic acid IUPAC Name: 2-[6-hydroxy-4,5-dimethyl-3-oxo-2-(pyridin-2-ylsulfonylamino)-7-(pyridin-2-ylsulfonylmethyl)xanthen-9-yl]benzoic acid Traditional Name: 2-[6-hydroxy-3-keto-4,5-dimethyl-2-(2-pyridylsulfonylamino)-7-(2-pyridylsulfonylmethyl)xanthen-9-yl]benzoic acid Formula: C33H25N3O9S2 MolecularWeight: 671.6963

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC(=C1O)CS(=O)(=O)C3=CC=CC=N3)C(=C4C=C(C(=O)C(=C4O2)C)NS(=O)(=O)C5=CC=CC=N5)C6=CC=CC=C6C(=O)O

Isomeric SMILES

CC1=C2C(=CC(=C1O)CS(=O)(=O)C3=CC=CC=N3)C(=C4C=C(C(=O)C(=C4O2)C)NS(=O)(=O)C5=CC=CC=N5)C6=CC=CC=C6C(=O)O

InChI

InChI=1S/C33H25N3O9S2/c1-18-29(37)20(17-46(41,42)26-11-5-7-13-34-26)15-23-28(21-9-3-4-10-22(21)33(39)40)24-16-25(30(38)19(2)32(24)45-31(18)23)36-47(43,44)27-12-6-8-14-35-27/h3-16,36-37H,17H2,1-2H3,(H,39,40)