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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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