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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H24O4S2/c1-5-12(3)27-15-10-17-20(23)16-9-14(22(24)25)7-8-18(16)26-21(17)19(11-15)28-13(4)6-2/h7-13H,5-6H2,1-4H3,(H,24,25)