3-[1-(4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)ethyl]benzoic acid

Systemtic Name: 3-[1-(4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)ethyl]benzoic acid Openeye Name: 3-[1-(4-acetyl-3-hydroxy-2-propyl-phenoxy)ethyl]benzoic acid CAS Name: 3-[1-(4-acetyl-3-hydroxy-2-propylphenoxy)ethyl]benzoic acid IUPAC Name: 3-[1-(4-acetyl-3-hydroxy-2-propylphenoxy)ethyl]benzoic acid Traditional Name: 3-[1-(4-acetyl-3-hydroxy-2-propyl-phenoxy)ethyl]benzoic acid Formula: C20H22O5 MolecularWeight: 342.38568

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1O)C(=O)C)OC(C)C2=CC=CC(=C2)C(=O)O

Isomeric SMILES

CCCC1=C(C=CC(=C1O)C(=O)C)OC(C)C2=CC=CC(=C2)C(=O)O

InChI

InChI=1S/C20H22O5/c1-4-6-17-18(10-9-16(12(2)21)19(17)22)25-13(3)14-7-5-8-15(11-14)20(23)24/h5,7-11,13,22H,4,6H2,1-3H3,(H,23,24)