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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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