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

Systemtic Name: 7-ethyl-9-oxidanylidene-5-propylsulfinyl-xanthene-2-carboxylic acid Openeye Name: 7-ethyl-9-oxo-5-propylsulfinyl-xanthene-2-carboxylic acid CAS Name: 7-ethyl-9-oxo-5-propylsulfinyl-2-xanthenecarboxylic acid IUPAC Name: 7-ethyl-9-oxo-5-propylsulfinylxanthene-2-carboxylic acid Traditional Name: 7-ethyl-9-keto-5-propylsulfinyl-xanthene-2-carboxylic acid Formula: C19H18O5S MolecularWeight: 358.40822

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H18O5S/c1-3-7-25(23)16-9-11(4-2)8-14-17(20)13-10-12(19(21)22)5-6-15(13)24-18(14)16/h5-6,8-10H,3-4,7H2,1-2H3,(H,21,22)