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

Systemtic Name: 7-ethoxy-9-oxidanylidene-5-propylsulfinyl-xanthene-2-carboxylic acid Openeye Name: 7-ethoxy-9-oxo-5-propylsulfinyl-xanthene-2-carboxylic acid CAS Name: 7-ethoxy-9-oxo-5-propylsulfinyl-2-xanthenecarboxylic acid IUPAC Name: 7-ethoxy-9-oxo-5-propylsulfinylxanthene-2-carboxylic acid Traditional Name: 7-ethoxy-9-keto-5-propylsulfinyl-xanthene-2-carboxylic acid Formula: C19H18O6S MolecularWeight: 374.40762

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCS(=O)C1=C2C(=CC(=C1)OCC)C(=O)C3=C(O2)C=CC(=C3)C(=O)O

Isomeric SMILES

CCCS(=O)C1=C2C(=CC(=C1)OCC)C(=O)C3=C(O2)C=CC(=C3)C(=O)O

InChI

InChI=1S/C19H18O6S/c1-3-7-26(23)16-10-12(24-4-2)9-14-17(20)13-8-11(19(21)22)5-6-15(13)25-18(14)16/h5-6,8-10H,3-4,7H2,1-2H3,(H,21,22)