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

Systemtic Name: 9-oxidanylidene-7-propan-2-ylsulfinyl-5-propoxy-xanthene-2-carboxylic acid Openeye Name: 7-isopropylsulfinyl-9-oxo-5-propoxy-xanthene-2-carboxylic acid CAS Name: 9-oxo-7-propan-2-ylsulfinyl-5-propoxy-2-xanthenecarboxylic acid IUPAC Name: 9-oxo-7-propan-2-ylsulfinyl-5-propoxyxanthene-2-carboxylic acid Traditional Name: 7-isopropylsulfinyl-9-keto-5-propoxy-xanthene-2-carboxylic acid Formula: C20H20O6S MolecularWeight: 388.4342

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20O6S/c1-4-7-25-17-10-13(27(24)11(2)3)9-15-18(21)14-8-12(20(22)23)5-6-16(14)26-19(15)17/h5-6,8-11H,4,7H2,1-3H3,(H,22,23)