5-methylsulfanyl-9-oxidanylidene-7-pentyl-xanthene-2-carboxylic acid

Systemtic Name: 5-methylsulfanyl-9-oxidanylidene-7-pentyl-xanthene-2-carboxylic acid Openeye Name: 5-methylsulfanyl-9-oxo-7-pentyl-xanthene-2-carboxylic acid CAS Name: 5-(methylthio)-9-oxo-7-pentyl-2-xanthenecarboxylic acid IUPAC Name: 5-methylsulfanyl-9-oxo-7-pentylxanthene-2-carboxylic acid Traditional Name: 7-amyl-9-keto-5-(methylthio)xanthene-2-carboxylic acid Formula: C20H20O4S MolecularWeight: 356.4354

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC(=C2C(=C1)C(=O)C3=C(O2)C=CC(=C3)C(=O)O)SC

Isomeric SMILES

CCCCCC1=CC(=C2C(=C1)C(=O)C3=C(O2)C=CC(=C3)C(=O)O)SC

InChI

InChI=1S/C20H20O4S/c1-3-4-5-6-12-9-15-18(21)14-11-13(20(22)23)7-8-16(14)24-19(15)17(10-12)25-2/h7-11H,3-6H2,1-2H3,(H,22,23)