9-oxidanylidene-7-propanoyl-5-propan-2-yloxy-xanthene-2-carboxylic acid

Systemtic Name: 9-oxidanylidene-7-propanoyl-5-propan-2-yloxy-xanthene-2-carboxylic acid Openeye Name: 5-isopropoxy-9-oxo-7-propanoyl-xanthene-2-carboxylic acid CAS Name: 9-oxo-7-(1-oxopropyl)-5-propan-2-yloxy-2-xanthenecarboxylic acid IUPAC Name: 9-oxo-7-propanoyl-5-propan-2-yloxyxanthene-2-carboxylic acid Traditional Name: 5-isopropoxy-9-keto-7-propionyl-xanthene-2-carboxylic acid Formula: C20H18O6 MolecularWeight: 354.35332

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C1=CC(=C2C(=C1)C(=O)C3=C(O2)C=CC(=C3)C(=O)O)OC(C)C

Isomeric SMILES

CCC(=O)C1=CC(=C2C(=C1)C(=O)C3=C(O2)C=CC(=C3)C(=O)O)OC(C)C

InChI

InChI=1S/C20H18O6/c1-4-15(21)12-8-14-18(22)13-7-11(20(23)24)5-6-16(13)26-19(14)17(9-12)25-10(2)3/h5-10H,4H2,1-3H3,(H,23,24)