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

Systemtic Name: 6-butoxy-9-oxidanylidene-xanthene-2-carboxylic acid Openeye Name: 6-butoxy-9-oxo-xanthene-2-carboxylic acid CAS Name: 6-butoxy-9-oxo-2-xanthenecarboxylic acid IUPAC Name: 6-butoxy-9-oxoxanthene-2-carboxylic acid Traditional Name: 6-butoxy-9-keto-xanthene-2-carboxylic acid Formula: C18H16O5 MolecularWeight: 312.31664

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC2=C(C=C1)C(=O)C3=C(O2)C=CC(=C3)C(=O)O

Isomeric SMILES

CCCCOC1=CC2=C(C=C1)C(=O)C3=C(O2)C=CC(=C3)C(=O)O

InChI

InChI=1S/C18H16O5/c1-2-3-8-22-12-5-6-13-16(10-12)23-15-7-4-11(18(20)21)9-14(15)17(13)19/h4-7,9-10H,2-3,8H2,1H3,(H,20,21)