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

Systemtic Name: 5-heptoxy-7-methylsulfonyl-9-oxidanylidene-xanthene-2-carboxylic acid Openeye Name: 5-heptoxy-7-methylsulfonyl-9-oxo-xanthene-2-carboxylic acid CAS Name: 5-heptoxy-7-methylsulfonyl-9-oxo-2-xanthenecarboxylic acid IUPAC Name: 5-heptoxy-7-methylsulfonyl-9-oxoxanthene-2-carboxylic acid Traditional Name: 5-heptoxy-9-keto-7-mesyl-xanthene-2-carboxylic acid Formula: C22H24O7S MolecularWeight: 432.48676

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=C2C(=CC(=C1)S(=O)(=O)C)C(=O)C3=C(O2)C=CC(=C3)C(=O)O

Isomeric SMILES

CCCCCCCOC1=C2C(=CC(=C1)S(=O)(=O)C)C(=O)C3=C(O2)C=CC(=C3)C(=O)O

InChI

InChI=1S/C22H24O7S/c1-3-4-5-6-7-10-28-19-13-15(30(2,26)27)12-17-20(23)16-11-14(22(24)25)8-9-18(16)29-21(17)19/h8-9,11-13H,3-7,10H2,1-2H3,(H,24,25)