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

Systemtic Name: 7-butoxy-9-oxidanylidene-5-propylsulfinyl-xanthene-2-carboxylic acid Openeye Name: 7-butoxy-9-oxo-5-propylsulfinyl-xanthene-2-carboxylic acid CAS Name: 7-butoxy-9-oxo-5-propylsulfinyl-2-xanthenecarboxylic acid IUPAC Name: 7-butoxy-9-oxo-5-propylsulfinylxanthene-2-carboxylic acid Traditional Name: 7-butoxy-9-keto-5-propylsulfinyl-xanthene-2-carboxylic acid Formula: C21H22O6S MolecularWeight: 402.46078

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22O6S/c1-3-5-8-26-14-11-16-19(22)15-10-13(21(23)24)6-7-17(15)27-20(16)18(12-14)28(25)9-4-2/h6-7,10-12H,3-5,8-9H2,1-2H3,(H,23,24)