7-octyl-9-oxidanylidene-5-sulfamoyl-xanthene-2-carboxylic acid

Systemtic Name: 7-octyl-9-oxidanylidene-5-sulfamoyl-xanthene-2-carboxylic acid Openeye Name: 7-octyl-9-oxo-5-sulfamoyl-xanthene-2-carboxylic acid CAS Name: 7-octyl-9-oxo-5-sulfamoyl-2-xanthenecarboxylic acid IUPAC Name: 7-octyl-9-oxo-5-sulfamoylxanthene-2-carboxylic acid Traditional Name: 9-keto-7-octyl-5-sulfamoyl-xanthene-2-carboxylic acid Formula: C22H25NO6S MolecularWeight: 431.502

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC(=C2C(=C1)C(=O)C3=C(O2)C=CC(=C3)C(=O)O)S(=O)(=O)N

Isomeric SMILES

CCCCCCCCC1=CC(=C2C(=C1)C(=O)C3=C(O2)C=CC(=C3)C(=O)O)S(=O)(=O)N

InChI

InChI=1S/C22H25NO6S/c1-2-3-4-5-6-7-8-14-11-17-20(24)16-13-15(22(25)26)9-10-18(16)29-21(17)19(12-14)30(23,27)28/h9-13H,2-8H2,1H3,(H,25,26)(H2,23,27,28)