5,7-bis(tert-butylsulfanyl)-9-oxidanylidene-xanthene-2-carboxylic acid

Systemtic Name: 5,7-bis(tert-butylsulfanyl)-9-oxidanylidene-xanthene-2-carboxylic acid Openeye Name: 5,7-bis(tert-butylsulfanyl)-9-oxo-xanthene-2-carboxylic acid CAS Name: 5,7-bis(tert-butylthio)-9-oxo-2-xanthenecarboxylic acid IUPAC Name: 5,7-bis(tert-butylsulfanyl)-9-oxoxanthene-2-carboxylic acid Traditional Name: 5,7-bis(tert-butylthio)-9-keto-xanthene-2-carboxylic acid Formula: C22H24O4S2 MolecularWeight: 416.55356

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)SC1=CC(=C2C(=C1)C(=O)C3=C(O2)C=CC(=C3)C(=O)O)SC(C)(C)C

Isomeric SMILES

CC(C)(C)SC1=CC(=C2C(=C1)C(=O)C3=C(O2)C=CC(=C3)C(=O)O)SC(C)(C)C

InChI

InChI=1S/C22H24O4S2/c1-21(2,3)27-13-10-15-18(23)14-9-12(20(24)25)7-8-16(14)26-19(15)17(11-13)28-22(4,5)6/h7-11H,1-6H3,(H,24,25)