7-methylsulfanyl-9-oxidanylidene-5-propan-2-yloxy-xanthene-2-carboxylic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=C2C(=CC(=C1)SC)C(=O)C3=C(O2)C=CC(=C3)C(=O)O

Isomeric SMILES

CC(C)OC1=C2C(=CC(=C1)SC)C(=O)C3=C(O2)C=CC(=C3)C(=O)O

InChI

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