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

Systemtic Name: 9-oxidanylidene-5,7-bis(pentylsulfonyl)xanthene-2-carboxylic acid Openeye Name: 9-oxo-5,7-bis(pentylsulfonyl)xanthene-2-carboxylic acid CAS Name: 9-oxo-5,7-bis(pentylsulfonyl)-2-xanthenecarboxylic acid IUPAC Name: 9-oxo-5,7-bis(pentylsulfonyl)xanthene-2-carboxylic acid Traditional Name: 5,7-bis(amylsulfonyl)-9-keto-xanthene-2-carboxylic acid Formula: C24H28O8S2 MolecularWeight: 508.60432

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCS(=O)(=O)C1=CC(=C2C(=C1)C(=O)C3=C(O2)C=CC(=C3)C(=O)O)S(=O)(=O)CCCCC

Isomeric SMILES

CCCCCS(=O)(=O)C1=CC(=C2C(=C1)C(=O)C3=C(O2)C=CC(=C3)C(=O)O)S(=O)(=O)CCCCC

InChI

InChI=1S/C24H28O8S2/c1-3-5-7-11-33(28,29)17-14-19-22(25)18-13-16(24(26)27)9-10-20(18)32-23(19)21(15-17)34(30,31)12-8-6-4-2/h9-10,13-15H,3-8,11-12H2,1-2H3,(H,26,27)