6-hexyl-9-oxidanylidene-xanthene-2-carboxylic acid

Systemtic Name: 6-hexyl-9-oxidanylidene-xanthene-2-carboxylic acid Openeye Name: 6-hexyl-9-oxo-xanthene-2-carboxylic acid CAS Name: 6-hexyl-9-oxo-2-xanthenecarboxylic acid IUPAC Name: 6-hexyl-9-oxoxanthene-2-carboxylic acid Traditional Name: 6-hexyl-9-keto-xanthene-2-carboxylic acid Formula: C20H20O4 MolecularWeight: 324.3704

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC2=C(C=C1)C(=O)C3=C(O2)C=CC(=C3)C(=O)O

Isomeric SMILES

CCCCCCC1=CC2=C(C=C1)C(=O)C3=C(O2)C=CC(=C3)C(=O)O

InChI

InChI=1S/C20H20O4/c1-2-3-4-5-6-13-7-9-15-18(11-13)24-17-10-8-14(20(22)23)12-16(17)19(15)21/h7-12H,2-6H2,1H3,(H,22,23)