7-methyl-5-octoxy-9-oxidanylidene-1-sulfamoyl-xanthene-2-carboxylic acid

Systemtic Name: 7-methyl-5-octoxy-9-oxidanylidene-1-sulfamoyl-xanthene-2-carboxylic acid Openeye Name: 7-methyl-5-octoxy-9-oxo-1-sulfamoyl-xanthene-2-carboxylic acid CAS Name: 7-methyl-5-octoxy-9-oxo-1-sulfamoyl-2-xanthenecarboxylic acid IUPAC Name: 7-methyl-5-octoxy-9-oxo-1-sulfamoylxanthene-2-carboxylic acid Traditional Name: 9-keto-7-methyl-5-octoxy-1-sulfamoyl-xanthene-2-carboxylic acid Formula: C23H27NO7S MolecularWeight: 461.52798

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=C2C(=CC(=C1)C)C(=O)C3=C(O2)C=CC(=C3S(=O)(=O)N)C(=O)O

Isomeric SMILES

CCCCCCCCOC1=C2C(=CC(=C1)C)C(=O)C3=C(O2)C=CC(=C3S(=O)(=O)N)C(=O)O

InChI

InChI=1S/C23H27NO7S/c1-3-4-5-6-7-8-11-30-18-13-14(2)12-16-20(25)19-17(31-21(16)18)10-9-15(23(26)27)22(19)32(24,28)29/h9-10,12-13H,3-8,11H2,1-2H3,(H,26,27)(H2,24,28,29)