3-(3-oxidanylidenecyclohexa-1,5-dien-1-yl)propanoic acid

Systemtic Name: 3-(3-oxidanylidenecyclohexa-1,5-dien-1-yl)propanoic acid Openeye Name: 3-(3-oxocyclohexa-1,5-dien-1-yl)propanoic acid CAS Name: 3-(3-oxo-1-cyclohexa-1,5-dienyl)propanoic acid IUPAC Name: 3-(3-oxocyclohexa-1,5-dien-1-yl)propanoic acid Traditional Name: 3-(3-ketocyclohexa-1,5-dien-1-yl)propionic acid Formula: C9H10O3 MolecularWeight: 166.1739

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C=CC(=CC1=O)CCC(=O)O

Isomeric SMILES

C1C=CC(=CC1=O)CCC(=O)O

InChI

InChI=1S/C9H10O3/c10-8-3-1-2-7(6-8)4-5-9(11)12/h1-2,6H,3-5H2,(H,11,12)