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

Systemtic Name: 5-butyl-7-methylsulfanyl-9-oxidanylidene-xanthene-2-carboxylic acid Openeye Name: 5-butyl-7-methylsulfanyl-9-oxo-xanthene-2-carboxylic acid CAS Name: 5-butyl-7-(methylthio)-9-oxo-2-xanthenecarboxylic acid IUPAC Name: 5-butyl-7-methylsulfanyl-9-oxoxanthene-2-carboxylic acid Traditional Name: 5-butyl-9-keto-7-(methylthio)xanthene-2-carboxylic acid Formula: C19H18O4S MolecularWeight: 342.40882

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C2C(=CC(=C1)SC)C(=O)C3=C(O2)C=CC(=C3)C(=O)O

Isomeric SMILES

CCCCC1=C2C(=CC(=C1)SC)C(=O)C3=C(O2)C=CC(=C3)C(=O)O

InChI

InChI=1S/C19H18O4S/c1-3-4-5-11-8-13(24-2)10-15-17(20)14-9-12(19(21)22)6-7-16(14)23-18(11)15/h6-10H,3-5H2,1-2H3,(H,21,22)