7-ethyl-5-ethylsulfonyl-9-oxidanylidene-xanthene-2-carboxylic acid

Systemtic Name: 7-ethyl-5-ethylsulfonyl-9-oxidanylidene-xanthene-2-carboxylic acid Openeye Name: 7-ethyl-5-ethylsulfonyl-9-oxo-xanthene-2-carboxylic acid CAS Name: 7-ethyl-5-ethylsulfonyl-9-oxo-2-xanthenecarboxylic acid IUPAC Name: 7-ethyl-5-ethylsulfonyl-9-oxoxanthene-2-carboxylic acid Traditional Name: 5-esyl-7-ethyl-9-keto-xanthene-2-carboxylic acid Formula: C18H16O6S MolecularWeight: 360.38104

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C2C(=C1)C(=O)C3=C(O2)C=CC(=C3)C(=O)O)S(=O)(=O)CC

Isomeric SMILES

CCC1=CC(=C2C(=C1)C(=O)C3=C(O2)C=CC(=C3)C(=O)O)S(=O)(=O)CC

InChI

InChI=1S/C18H16O6S/c1-3-10-7-13-16(19)12-9-11(18(20)21)5-6-14(12)24-17(13)15(8-10)25(22,23)4-2/h5-9H,3-4H2,1-2H3,(H,20,21)