6-methoxy-3-oxidanylidene-cyclohepta-1,4,6-triene-1-carboxylic acid

Systemtic Name: 6-methoxy-3-oxidanylidene-cyclohepta-1,4,6-triene-1-carboxylic acid Openeye Name: 6-methoxy-3-oxo-cyclohepta-1,4,6-triene-1-carboxylic acid CAS Name: 6-methoxy-3-oxo-1-cyclohepta-1,4,6-trienecarboxylic acid IUPAC Name: 6-methoxy-3-oxocyclohepta-1,4,6-triene-1-carboxylic acid Traditional Name: 3-keto-6-methoxy-cyclohepta-1,4,6-triene-1-carboxylic acid Formula: C9H8O4 MolecularWeight: 180.15742

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=O)C=C1)C(=O)O

Isomeric SMILES

COC1=CC(=CC(=O)C=C1)C(=O)O

InChI

InChI=1S/C9H8O4/c1-13-8-3-2-7(10)4-6(5-8)9(11)12/h2-5H,1H3,(H,11,12)