7-methylsulfonyl-5-octoxy-9-oxidanylidene-xanthene-2-carboxylic acid

Systemtic Name: 7-methylsulfonyl-5-octoxy-9-oxidanylidene-xanthene-2-carboxylic acid Openeye Name: 7-methylsulfonyl-5-octoxy-9-oxo-xanthene-2-carboxylic acid CAS Name: 7-methylsulfonyl-5-octoxy-9-oxo-2-xanthenecarboxylic acid IUPAC Name: 7-methylsulfonyl-5-octoxy-9-oxoxanthene-2-carboxylic acid Traditional Name: 9-keto-7-mesyl-5-octoxy-xanthene-2-carboxylic acid Formula: C23H26O7S MolecularWeight: 446.51334

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=C2C(=CC(=C1)S(=O)(=O)C)C(=O)C3=C(O2)C=CC(=C3)C(=O)O

Isomeric SMILES

CCCCCCCCOC1=C2C(=CC(=C1)S(=O)(=O)C)C(=O)C3=C(O2)C=CC(=C3)C(=O)O

InChI

InChI=1S/C23H26O7S/c1-3-4-5-6-7-8-11-29-20-14-16(31(2,27)28)13-18-21(24)17-12-15(23(25)26)9-10-19(17)30-22(18)20/h9-10,12-14H,3-8,11H2,1-2H3,(H,25,26)