6-(3-methylbutyl)-9-oxidanylidene-xanthene-2-carboxylic acid

Systemtic Name: 6-(3-methylbutyl)-9-oxidanylidene-xanthene-2-carboxylic acid Openeye Name: 6-isopentyl-9-oxo-xanthene-2-carboxylic acid CAS Name: 6-(3-methylbutyl)-9-oxo-2-xanthenecarboxylic acid IUPAC Name: 6-(3-methylbutyl)-9-oxoxanthene-2-carboxylic acid Traditional Name: 6-isoamyl-9-keto-xanthene-2-carboxylic acid Formula: C19H18O4 MolecularWeight: 310.34382

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCC1=CC2=C(C=C1)C(=O)C3=C(O2)C=CC(=C3)C(=O)O

Isomeric SMILES

CC(C)CCC1=CC2=C(C=C1)C(=O)C3=C(O2)C=CC(=C3)C(=O)O

InChI

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