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

Systemtic Name: 6-butyl-9-oxidanylidene-xanthene-2-carboxylic acid Openeye Name: 6-butyl-9-oxo-xanthene-2-carboxylic acid CAS Name: 6-butyl-9-oxo-2-xanthenecarboxylic acid IUPAC Name: 6-butyl-9-oxoxanthene-2-carboxylic acid Traditional Name: 6-butyl-9-keto-xanthene-2-carboxylic acid Formula: C18H16O4 MolecularWeight: 296.31724

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC2=C(C=C1)C(=O)C3=C(O2)C=CC(=C3)C(=O)O

Isomeric SMILES

CCCCC1=CC2=C(C=C1)C(=O)C3=C(O2)C=CC(=C3)C(=O)O

InChI

InChI=1S/C18H16O4/c1-2-3-4-11-5-7-13-16(9-11)22-15-8-6-12(18(20)21)10-14(15)17(13)19/h5-10H,2-4H2,1H3,(H,20,21)