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

Systemtic Name: 9-oxidanylidene-5-propoxy-7-propylsulfonyl-xanthene-2-carboxylic acid Openeye Name: 9-oxo-5-propoxy-7-propylsulfonyl-xanthene-2-carboxylic acid CAS Name: 9-oxo-5-propoxy-7-propylsulfonyl-2-xanthenecarboxylic acid IUPAC Name: 9-oxo-5-propoxy-7-propylsulfonylxanthene-2-carboxylic acid Traditional Name: 9-keto-5-propoxy-7-propylsulfonyl-xanthene-2-carboxylic acid Formula: C20H20O7S MolecularWeight: 404.4336

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C2C(=CC(=C1)S(=O)(=O)CCC)C(=O)C3=C(O2)C=CC(=C3)C(=O)O

Isomeric SMILES

CCCOC1=C2C(=CC(=C1)S(=O)(=O)CCC)C(=O)C3=C(O2)C=CC(=C3)C(=O)O

InChI

InChI=1S/C20H20O7S/c1-3-7-26-17-11-13(28(24,25)8-4-2)10-15-18(21)14-9-12(20(22)23)5-6-16(14)27-19(15)17/h5-6,9-11H,3-4,7-8H2,1-2H3,(H,22,23)