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

Systemtic Name: 5,7-bis(cyclobutylsulfanyl)-9-oxidanylidene-xanthene-2-carboxylic acid Openeye Name: 5,7-bis(cyclobutylsulfanyl)-9-oxo-xanthene-2-carboxylic acid CAS Name: 5,7-bis(cyclobutylthio)-9-oxo-2-xanthenecarboxylic acid IUPAC Name: 5,7-bis(cyclobutylsulfanyl)-9-oxoxanthene-2-carboxylic acid Traditional Name: 5,7-bis(cyclobutylthio)-9-keto-xanthene-2-carboxylic acid Formula: C22H20O4S2 MolecularWeight: 412.5218

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C1)SC2=CC(=C3C(=C2)C(=O)C4=C(O3)C=CC(=C4)C(=O)O)SC5CCC5

Isomeric SMILES

C1CC(C1)SC2=CC(=C3C(=C2)C(=O)C4=C(O3)C=CC(=C4)C(=O)O)SC5CCC5

InChI

InChI=1S/C22H20O4S2/c23-20-16-9-12(22(24)25)7-8-18(16)26-21-17(20)10-15(27-13-3-1-4-13)11-19(21)28-14-5-2-6-14/h7-11,13-14H,1-6H2,(H,24,25)