5-tert-butyl-7-methylsulfanyl-9-oxidanylidene-xanthene-2-carboxylic acid

Systemtic Name: 5-tert-butyl-7-methylsulfanyl-9-oxidanylidene-xanthene-2-carboxylic acid Openeye Name: 5-tert-butyl-7-methylsulfanyl-9-oxo-xanthene-2-carboxylic acid CAS Name: 5-tert-butyl-7-(methylthio)-9-oxo-2-xanthenecarboxylic acid IUPAC Name: 5-tert-butyl-7-methylsulfanyl-9-oxoxanthene-2-carboxylic acid Traditional Name: 5-tert-butyl-9-keto-7-(methylthio)xanthene-2-carboxylic acid Formula: C19H18O4S MolecularWeight: 342.40882

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H18O4S/c1-19(2,3)14-9-11(24-4)8-13-16(20)12-7-10(18(21)22)5-6-15(12)23-17(13)14/h5-9H,1-4H3,(H,21,22)