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

Systemtic Name: 5,7-bis(butylsulfonyl)-9-oxidanylidene-xanthene-2-carboxylic acid Openeye Name: 5,7-bis(butylsulfonyl)-9-oxo-xanthene-2-carboxylic acid CAS Name: 5,7-bis(butylsulfonyl)-9-oxo-2-xanthenecarboxylic acid IUPAC Name: 5,7-bis(butylsulfonyl)-9-oxoxanthene-2-carboxylic acid Traditional Name: 5,7-bis(butylsulfonyl)-9-keto-xanthene-2-carboxylic acid Formula: C22H24O8S2 MolecularWeight: 480.55116

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Descriptors Computed from Structure

Canonical SMILES:

CCCCS(=O)(=O)C1=CC(=C2C(=C1)C(=O)C3=C(O2)C=CC(=C3)C(=O)O)S(=O)(=O)CCCC

Isomeric SMILES

CCCCS(=O)(=O)C1=CC(=C2C(=C1)C(=O)C3=C(O2)C=CC(=C3)C(=O)O)S(=O)(=O)CCCC

InChI

InChI=1S/C22H24O8S2/c1-3-5-9-31(26,27)15-12-17-20(23)16-11-14(22(24)25)7-8-18(16)30-21(17)19(13-15)32(28,29)10-6-4-2/h7-8,11-13H,3-6,9-10H2,1-2H3,(H,24,25)