5-methoxy-7-methylsulfinyl-9-oxidanylidene-xanthene-2-carboxylic acid

Systemtic Name: 5-methoxy-7-methylsulfinyl-9-oxidanylidene-xanthene-2-carboxylic acid Openeye Name: 5-methoxy-7-methylsulfinyl-9-oxo-xanthene-2-carboxylic acid CAS Name: 5-methoxy-7-methylsulfinyl-9-oxo-2-xanthenecarboxylic acid IUPAC Name: 5-methoxy-7-methylsulfinyl-9-oxoxanthene-2-carboxylic acid Traditional Name: 9-keto-5-methoxy-7-methylsulfinyl-xanthene-2-carboxylic acid Formula: C16H12O6S MolecularWeight: 332.32788

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C2C(=CC(=C1)S(=O)C)C(=O)C3=C(O2)C=CC(=C3)C(=O)O

Isomeric SMILES

COC1=C2C(=CC(=C1)S(=O)C)C(=O)C3=C(O2)C=CC(=C3)C(=O)O

InChI

InChI=1S/C16H12O6S/c1-21-13-7-9(23(2)20)6-11-14(17)10-5-8(16(18)19)3-4-12(10)22-15(11)13/h3-7H,1-2H3,(H,18,19)