6-(2-methylpropanoyl)-9-oxidanylidene-xanthene-2-carboxylic acid

Systemtic Name: 6-(2-methylpropanoyl)-9-oxidanylidene-xanthene-2-carboxylic acid Openeye Name: 6-(2-methylpropanoyl)-9-oxo-xanthene-2-carboxylic acid CAS Name: 6-(2-methyl-1-oxopropyl)-9-oxo-2-xanthenecarboxylic acid IUPAC Name: 6-(2-methylpropanoyl)-9-oxoxanthene-2-carboxylic acid Traditional Name: 6-isobutyryl-9-keto-xanthene-2-carboxylic acid Formula: C18H14O5 MolecularWeight: 310.30076

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)C1=CC2=C(C=C1)C(=O)C3=C(O2)C=CC(=C3)C(=O)O

Isomeric SMILES

CC(C)C(=O)C1=CC2=C(C=C1)C(=O)C3=C(O2)C=CC(=C3)C(=O)O

InChI

InChI=1S/C18H14O5/c1-9(2)16(19)10-3-5-12-15(8-10)23-14-6-4-11(18(21)22)7-13(14)17(12)20/h3-9H,1-2H3,(H,21,22)