3-propanoyl-4-propan-2-yloxy-benzoic acid

Systemtic Name: 3-propanoyl-4-propan-2-yloxy-benzoic acid Openeye Name: 4-isopropoxy-3-propanoyl-benzoic acid CAS Name: 3-(1-oxopropyl)-4-propan-2-yloxybenzoic acid IUPAC Name: 3-propanoyl-4-propan-2-yloxybenzoic acid Traditional Name: 4-isopropoxy-3-propionyl-benzoic acid Formula: C13H16O4 MolecularWeight: 236.26374

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C1=C(C=CC(=C1)C(=O)O)OC(C)C

Isomeric SMILES

CCC(=O)C1=C(C=CC(=C1)C(=O)O)OC(C)C

InChI

InChI=1S/C13H16O4/c1-4-11(14)10-7-9(13(15)16)5-6-12(10)17-8(2)3/h5-8H,4H2,1-3H3,(H,15,16)