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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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