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

Systemtic Name: 7-methyl-5-octyl-9-oxidanylidene-1-sulfamoyl-xanthene-2-carboxylic acid Openeye Name: 7-methyl-5-octyl-9-oxo-1-sulfamoyl-xanthene-2-carboxylic acid CAS Name: 7-methyl-5-octyl-9-oxo-1-sulfamoyl-2-xanthenecarboxylic acid IUPAC Name: 7-methyl-5-octyl-9-oxo-1-sulfamoylxanthene-2-carboxylic acid Traditional Name: 9-keto-7-methyl-5-octyl-1-sulfamoyl-xanthene-2-carboxylic acid Formula: C23H27NO6S MolecularWeight: 445.52858

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=C2C(=CC(=C1)C)C(=O)C3=C(O2)C=CC(=C3S(=O)(=O)N)C(=O)O

Isomeric SMILES

CCCCCCCCC1=C2C(=CC(=C1)C)C(=O)C3=C(O2)C=CC(=C3S(=O)(=O)N)C(=O)O

InChI

InChI=1S/C23H27NO6S/c1-3-4-5-6-7-8-9-15-12-14(2)13-17-20(25)19-18(30-21(15)17)11-10-16(23(26)27)22(19)31(24,28)29/h10-13H,3-9H2,1-2H3,(H,26,27)(H2,24,28,29)