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

Systemtic Name: 5-hexoxy-7-methylsulfanyl-9-oxidanylidene-xanthene-2-carboxylic acid Openeye Name: 5-hexoxy-7-methylsulfanyl-9-oxo-xanthene-2-carboxylic acid CAS Name: 5-hexoxy-7-(methylthio)-9-oxo-2-xanthenecarboxylic acid IUPAC Name: 5-hexoxy-7-methylsulfanyl-9-oxoxanthene-2-carboxylic acid Traditional Name: 5-hexoxy-9-keto-7-(methylthio)xanthene-2-carboxylic acid Formula: C21H22O5S MolecularWeight: 386.46138

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=C2C(=CC(=C1)SC)C(=O)C3=C(O2)C=CC(=C3)C(=O)O

Isomeric SMILES

CCCCCCOC1=C2C(=CC(=C1)SC)C(=O)C3=C(O2)C=CC(=C3)C(=O)O

InChI

InChI=1S/C21H22O5S/c1-3-4-5-6-9-25-18-12-14(27-2)11-16-19(22)15-10-13(21(23)24)7-8-17(15)26-20(16)18/h7-8,10-12H,3-6,9H2,1-2H3,(H,23,24)