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

Systemtic Name: 9-oxidanylidene-5-propoxy-7-propylsulfinyl-xanthene-2-carboxylic acid Openeye Name: 9-oxo-5-propoxy-7-propylsulfinyl-xanthene-2-carboxylic acid CAS Name: 9-oxo-5-propoxy-7-propylsulfinyl-2-xanthenecarboxylic acid IUPAC Name: 9-oxo-5-propoxy-7-propylsulfinylxanthene-2-carboxylic acid Traditional Name: 9-keto-5-propoxy-7-propylsulfinyl-xanthene-2-carboxylic acid Formula: C20H20O6S MolecularWeight: 388.4342

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20O6S/c1-3-7-25-17-11-13(27(24)8-4-2)10-15-18(21)14-9-12(20(22)23)5-6-16(14)26-19(15)17/h5-6,9-11H,3-4,7-8H2,1-2H3,(H,22,23)