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

Systemtic Name: 5-ethoxy-7-methylsulfonyl-9-oxidanylidene-xanthene-2-carboxylic acid Openeye Name: 5-ethoxy-7-methylsulfonyl-9-oxo-xanthene-2-carboxylic acid CAS Name: 5-ethoxy-7-methylsulfonyl-9-oxo-2-xanthenecarboxylic acid IUPAC Name: 5-ethoxy-7-methylsulfonyl-9-oxoxanthene-2-carboxylic acid Traditional Name: 5-ethoxy-9-keto-7-mesyl-xanthene-2-carboxylic acid Formula: C17H14O7S MolecularWeight: 362.35386

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C2C(=CC(=C1)S(=O)(=O)C)C(=O)C3=C(O2)C=CC(=C3)C(=O)O

Isomeric SMILES

CCOC1=C2C(=CC(=C1)S(=O)(=O)C)C(=O)C3=C(O2)C=CC(=C3)C(=O)O

InChI

InChI=1S/C17H14O7S/c1-3-23-14-8-10(25(2,21)22)7-12-15(18)11-6-9(17(19)20)4-5-13(11)24-16(12)14/h4-8H,3H2,1-2H3,(H,19,20)