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

Systemtic Name: 5-methylsulfanyl-9-oxidanylidene-7-propoxy-xanthene-2-carboxylic acid Openeye Name: 5-methylsulfanyl-9-oxo-7-propoxy-xanthene-2-carboxylic acid CAS Name: 5-(methylthio)-9-oxo-7-propoxy-2-xanthenecarboxylic acid IUPAC Name: 5-methylsulfanyl-9-oxo-7-propoxyxanthene-2-carboxylic acid Traditional Name: 9-keto-5-(methylthio)-7-propoxy-xanthene-2-carboxylic acid Formula: C18H16O5S MolecularWeight: 344.38164

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC(=C2C(=C1)C(=O)C3=C(O2)C=CC(=C3)C(=O)O)SC

Isomeric SMILES

CCCOC1=CC(=C2C(=C1)C(=O)C3=C(O2)C=CC(=C3)C(=O)O)SC

InChI

InChI=1S/C18H16O5S/c1-3-6-22-11-8-13-16(19)12-7-10(18(20)21)4-5-14(12)23-17(13)15(9-11)24-2/h4-5,7-9H,3,6H2,1-2H3,(H,20,21)