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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CSC1=CC(=C2C(=C1)C(=O)C3=C(O2)C=CC(=C3)C(=O)O)SCC(C)C

Isomeric SMILES

CC(C)CSC1=CC(=C2C(=C1)C(=O)C3=C(O2)C=CC(=C3)C(=O)O)SCC(C)C

InChI

InChI=1S/C22H24O4S2/c1-12(2)10-27-15-8-17-20(23)16-7-14(22(24)25)5-6-18(16)26-21(17)19(9-15)28-11-13(3)4/h5-9,12-13H,10-11H2,1-4H3,(H,24,25)