9-oxidanylidene-5-propan-2-yl-7-propylsulfonyl-xanthene-2-carboxylic acid

Systemtic Name: 9-oxidanylidene-5-propan-2-yl-7-propylsulfonyl-xanthene-2-carboxylic acid Openeye Name: 5-isopropyl-9-oxo-7-propylsulfonyl-xanthene-2-carboxylic acid CAS Name: 9-oxo-5-propan-2-yl-7-propylsulfonyl-2-xanthenecarboxylic acid IUPAC Name: 9-oxo-5-propan-2-yl-7-propylsulfonylxanthene-2-carboxylic acid Traditional Name: 5-isopropyl-9-keto-7-propylsulfonyl-xanthene-2-carboxylic acid Formula: C20H20O6S MolecularWeight: 388.4342

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Descriptors Computed from Structure

Canonical SMILES:

CCCS(=O)(=O)C1=CC(=C2C(=C1)C(=O)C3=C(O2)C=CC(=C3)C(=O)O)C(C)C

Isomeric SMILES

CCCS(=O)(=O)C1=CC(=C2C(=C1)C(=O)C3=C(O2)C=CC(=C3)C(=O)O)C(C)C

InChI

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