9-oxidanylidene-5-propan-2-ylsulfonyl-7-propoxy-xanthene-2-carboxylic acid

Systemtic Name: 9-oxidanylidene-5-propan-2-ylsulfonyl-7-propoxy-xanthene-2-carboxylic acid Openeye Name: 5-isopropylsulfonyl-9-oxo-7-propoxy-xanthene-2-carboxylic acid CAS Name: 9-oxo-5-propan-2-ylsulfonyl-7-propoxy-2-xanthenecarboxylic acid IUPAC Name: 9-oxo-5-propan-2-ylsulfonyl-7-propoxyxanthene-2-carboxylic acid Traditional Name: 5-isopropylsulfonyl-9-keto-7-propoxy-xanthene-2-carboxylic acid Formula: C20H20O7S MolecularWeight: 404.4336

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC(=C2C(=C1)C(=O)C3=C(O2)C=CC(=C3)C(=O)O)S(=O)(=O)C(C)C

Isomeric SMILES

CCCOC1=CC(=C2C(=C1)C(=O)C3=C(O2)C=CC(=C3)C(=O)O)S(=O)(=O)C(C)C

InChI

InChI=1S/C20H20O7S/c1-4-7-26-13-9-15-18(21)14-8-12(20(22)23)5-6-16(14)27-19(15)17(10-13)28(24,25)11(2)3/h5-6,8-11H,4,7H2,1-3H3,(H,22,23)