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

Systemtic Name: 9-oxidanylidene-5-propan-2-ylsulfinyl-7-propyl-xanthene-2-carboxylic acid Openeye Name: 5-isopropylsulfinyl-9-oxo-7-propyl-xanthene-2-carboxylic acid CAS Name: 9-oxo-5-propan-2-ylsulfinyl-7-propyl-2-xanthenecarboxylic acid IUPAC Name: 9-oxo-5-propan-2-ylsulfinyl-7-propylxanthene-2-carboxylic acid Traditional Name: 5-isopropylsulfinyl-9-keto-7-propyl-xanthene-2-carboxylic acid Formula: C20H20O5S MolecularWeight: 372.4348

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=C2C(=C1)C(=O)C3=C(O2)C=CC(=C3)C(=O)O)S(=O)C(C)C

Isomeric SMILES

CCCC1=CC(=C2C(=C1)C(=O)C3=C(O2)C=CC(=C3)C(=O)O)S(=O)C(C)C

InChI

InChI=1S/C20H20O5S/c1-4-5-12-8-15-18(21)14-10-13(20(22)23)6-7-16(14)25-19(15)17(9-12)26(24)11(2)3/h6-11H,4-5H2,1-3H3,(H,22,23)