7-(2-hydroxyethylsulfinyl)-9-oxidanylidene-xanthene-2-carboxylic acid

Systemtic Name: 7-(2-hydroxyethylsulfinyl)-9-oxidanylidene-xanthene-2-carboxylic acid Openeye Name: 7-(2-hydroxyethylsulfinyl)-9-oxo-xanthene-2-carboxylic acid CAS Name: 7-(2-hydroxyethylsulfinyl)-9-oxo-2-xanthenecarboxylic acid IUPAC Name: 7-(2-hydroxyethylsulfinyl)-9-oxoxanthene-2-carboxylic acid Traditional Name: 7-(2-hydroxyethylsulfinyl)-9-keto-xanthene-2-carboxylic acid Formula: C16H12O6S MolecularWeight: 332.32788

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1C(=O)O)C(=O)C3=C(O2)C=CC(=C3)S(=O)CCO

Isomeric SMILES

C1=CC2=C(C=C1C(=O)O)C(=O)C3=C(O2)C=CC(=C3)S(=O)CCO

InChI

InChI=1S/C16H12O6S/c17-5-6-23(21)10-2-4-14-12(8-10)15(18)11-7-9(16(19)20)1-3-13(11)22-14/h1-4,7-8,17H,5-6H2,(H,19,20)