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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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