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

Systemtic Name: 7-methyl-5-methylsulfinyl-9-oxidanylidene-xanthene-2-carboxylic acid Openeye Name: 7-methyl-5-methylsulfinyl-9-oxo-xanthene-2-carboxylic acid CAS Name: 7-methyl-5-methylsulfinyl-9-oxo-2-xanthenecarboxylic acid IUPAC Name: 7-methyl-5-methylsulfinyl-9-oxoxanthene-2-carboxylic acid Traditional Name: 9-keto-7-methyl-5-methylsulfinyl-xanthene-2-carboxylic acid Formula: C16H12O5S MolecularWeight: 316.32848

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)C(=O)C3=C(O2)C=CC(=C3)C(=O)O)S(=O)C

Isomeric SMILES

CC1=CC(=C2C(=C1)C(=O)C3=C(O2)C=CC(=C3)C(=O)O)S(=O)C

InChI

InChI=1S/C16H12O5S/c1-8-5-11-14(17)10-7-9(16(18)19)3-4-12(10)21-15(11)13(6-8)22(2)20/h3-7H,1-2H3,(H,18,19)