5-ethylsulfonyl-7-octyl-9-oxidanylidene-xanthene-2-carboxylic acid

Systemtic Name: 5-ethylsulfonyl-7-octyl-9-oxidanylidene-xanthene-2-carboxylic acid Openeye Name: 5-ethylsulfonyl-7-octyl-9-oxo-xanthene-2-carboxylic acid CAS Name: 5-ethylsulfonyl-7-octyl-9-oxo-2-xanthenecarboxylic acid IUPAC Name: 5-ethylsulfonyl-7-octyl-9-oxoxanthene-2-carboxylic acid Traditional Name: 5-esyl-9-keto-7-octyl-xanthene-2-carboxylic acid Formula: C24H28O6S MolecularWeight: 444.54052

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC(=C2C(=C1)C(=O)C3=C(O2)C=CC(=C3)C(=O)O)S(=O)(=O)CC

Isomeric SMILES

CCCCCCCCC1=CC(=C2C(=C1)C(=O)C3=C(O2)C=CC(=C3)C(=O)O)S(=O)(=O)CC

InChI

InChI=1S/C24H28O6S/c1-3-5-6-7-8-9-10-16-13-19-22(25)18-15-17(24(26)27)11-12-20(18)30-23(19)21(14-16)31(28,29)4-2/h11-15H,3-10H2,1-2H3,(H,26,27)