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

Systemtic Name: 5-butoxy-7-methylsulfonyl-9-oxidanylidene-xanthene-2-carboxylic acid Openeye Name: 5-butoxy-7-methylsulfonyl-9-oxo-xanthene-2-carboxylic acid CAS Name: 5-butoxy-7-methylsulfonyl-9-oxo-2-xanthenecarboxylic acid IUPAC Name: 5-butoxy-7-methylsulfonyl-9-oxoxanthene-2-carboxylic acid Traditional Name: 5-butoxy-9-keto-7-mesyl-xanthene-2-carboxylic acid Formula: C19H18O7S MolecularWeight: 390.40702

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C2C(=CC(=C1)S(=O)(=O)C)C(=O)C3=C(O2)C=CC(=C3)C(=O)O

Isomeric SMILES

CCCCOC1=C2C(=CC(=C1)S(=O)(=O)C)C(=O)C3=C(O2)C=CC(=C3)C(=O)O

InChI

InChI=1S/C19H18O7S/c1-3-4-7-25-16-10-12(27(2,23)24)9-14-17(20)13-8-11(19(21)22)5-6-15(13)26-18(14)16/h5-6,8-10H,3-4,7H2,1-2H3,(H,21,22)