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

Systemtic Name: 5-methylsulfanyl-9-oxidanylidene-7-pentoxy-xanthene-2-carboxylic acid Openeye Name: 5-methylsulfanyl-9-oxo-7-pentoxy-xanthene-2-carboxylic acid CAS Name: 5-(methylthio)-9-oxo-7-pentoxy-2-xanthenecarboxylic acid IUPAC Name: 5-methylsulfanyl-9-oxo-7-pentoxyxanthene-2-carboxylic acid Traditional Name: 7-amoxy-9-keto-5-(methylthio)xanthene-2-carboxylic acid Formula: C20H20O5S MolecularWeight: 372.4348

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC(=C2C(=C1)C(=O)C3=C(O2)C=CC(=C3)C(=O)O)SC

Isomeric SMILES

CCCCCOC1=CC(=C2C(=C1)C(=O)C3=C(O2)C=CC(=C3)C(=O)O)SC

InChI

InChI=1S/C20H20O5S/c1-3-4-5-8-24-13-10-15-18(21)14-9-12(20(22)23)6-7-16(14)25-19(15)17(11-13)26-2/h6-7,9-11H,3-5,8H2,1-2H3,(H,22,23)