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

Systemtic Name: 5-cyclopentyl-7-methylsulfanyl-9-oxidanylidene-xanthene-2-carboxylic acid Openeye Name: 5-cyclopentyl-7-methylsulfanyl-9-oxo-xanthene-2-carboxylic acid CAS Name: 5-cyclopentyl-7-(methylthio)-9-oxo-2-xanthenecarboxylic acid IUPAC Name: 5-cyclopentyl-7-methylsulfanyl-9-oxoxanthene-2-carboxylic acid Traditional Name: 5-cyclopentyl-9-keto-7-(methylthio)xanthene-2-carboxylic acid Formula: C20H18O4S MolecularWeight: 354.41952

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC(=C2C(=C1)C(=O)C3=C(O2)C=CC(=C3)C(=O)O)C4CCCC4

Isomeric SMILES

CSC1=CC(=C2C(=C1)C(=O)C3=C(O2)C=CC(=C3)C(=O)O)C4CCCC4

InChI

InChI=1S/C20H18O4S/c1-25-13-9-14(11-4-2-3-5-11)19-16(10-13)18(21)15-8-12(20(22)23)6-7-17(15)24-19/h6-11H,2-5H2,1H3,(H,22,23)