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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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