9-oxidanylidene-7-propyl-5-propylsulfonyl-xanthene-2-carboxylic acid

Systemtic Name: 9-oxidanylidene-7-propyl-5-propylsulfonyl-xanthene-2-carboxylic acid Openeye Name: 9-oxo-7-propyl-5-propylsulfonyl-xanthene-2-carboxylic acid CAS Name: 9-oxo-7-propyl-5-propylsulfonyl-2-xanthenecarboxylic acid IUPAC Name: 9-oxo-7-propyl-5-propylsulfonylxanthene-2-carboxylic acid Traditional Name: 9-keto-7-propyl-5-propylsulfonyl-xanthene-2-carboxylic acid Formula: C20H20O6S MolecularWeight: 388.4342

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=C2C(=C1)C(=O)C3=C(O2)C=CC(=C3)C(=O)O)S(=O)(=O)CCC

Isomeric SMILES

CCCC1=CC(=C2C(=C1)C(=O)C3=C(O2)C=CC(=C3)C(=O)O)S(=O)(=O)CCC

InChI

InChI=1S/C20H20O6S/c1-3-5-12-9-15-18(21)14-11-13(20(22)23)6-7-16(14)26-19(15)17(10-12)27(24,25)8-4-2/h6-7,9-11H,3-5,8H2,1-2H3,(H,22,23)