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

Systemtic Name: 5-methyl-7-methylsulfanyl-9-oxidanylidene-xanthene-2-carboxylic acid Openeye Name: 5-methyl-7-methylsulfanyl-9-oxo-xanthene-2-carboxylic acid CAS Name: 5-methyl-7-(methylthio)-9-oxo-2-xanthenecarboxylic acid IUPAC Name: 5-methyl-7-methylsulfanyl-9-oxoxanthene-2-carboxylic acid Traditional Name: 9-keto-5-methyl-7-(methylthio)xanthene-2-carboxylic acid Formula: C16H12O4S MolecularWeight: 300.32908

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC(=C1)SC)C(=O)C3=C(O2)C=CC(=C3)C(=O)O

Isomeric SMILES

CC1=C2C(=CC(=C1)SC)C(=O)C3=C(O2)C=CC(=C3)C(=O)O

InChI

InChI=1S/C16H12O4S/c1-8-5-10(21-2)7-12-14(17)11-6-9(16(18)19)3-4-13(11)20-15(8)12/h3-7H,1-2H3,(H,18,19)