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

Systemtic Name: 5-ethyl-7-methylsulfanyl-9-oxidanylidene-xanthene-2-carboxylic acid Openeye Name: 5-ethyl-7-methylsulfanyl-9-oxo-xanthene-2-carboxylic acid CAS Name: 5-ethyl-7-(methylthio)-9-oxo-2-xanthenecarboxylic acid IUPAC Name: 5-ethyl-7-methylsulfanyl-9-oxoxanthene-2-carboxylic acid Traditional Name: 5-ethyl-9-keto-7-(methylthio)xanthene-2-carboxylic acid Formula: C17H14O4S MolecularWeight: 314.35566

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C2C(=CC(=C1)SC)C(=O)C3=C(O2)C=CC(=C3)C(=O)O

Isomeric SMILES

CCC1=C2C(=CC(=C1)SC)C(=O)C3=C(O2)C=CC(=C3)C(=O)O

InChI

InChI=1S/C17H14O4S/c1-3-9-6-11(22-2)8-13-15(18)12-7-10(17(19)20)4-5-14(12)21-16(9)13/h4-8H,3H2,1-2H3,(H,19,20)