6-(2-methylbutan-2-yl)-9-oxidanylidene-xanthene-2-carboxylic acid

Systemtic Name: 6-(2-methylbutan-2-yl)-9-oxidanylidene-xanthene-2-carboxylic acid Openeye Name: 6-(1,1-dimethylpropyl)-9-oxo-xanthene-2-carboxylic acid CAS Name: 6-(2-methylbutan-2-yl)-9-oxo-2-xanthenecarboxylic acid IUPAC Name: 6-(2-methylbutan-2-yl)-9-oxoxanthene-2-carboxylic acid Traditional Name: 6-tert-amyl-9-keto-xanthene-2-carboxylic acid Formula: C19H18O4 MolecularWeight: 310.34382

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H18O4/c1-4-19(2,3)12-6-7-13-16(10-12)23-15-8-5-11(18(21)22)9-14(15)17(13)20/h5-10H,4H2,1-3H3,(H,21,22)