5-[2-(2,5-dimethoxyphenyl)ethynyl]-2-methoxy-benzoic acid

Systemtic Name: 5-[2-(2,5-dimethoxyphenyl)ethynyl]-2-methoxy-benzoic acid Openeye Name: 5-[2-(2,5-dimethoxyphenyl)ethynyl]-2-methoxy-benzoic acid CAS Name: 5-[2-(2,5-dimethoxyphenyl)ethynyl]-2-methoxybenzoic acid IUPAC Name: 5-[2-(2,5-dimethoxyphenyl)ethynyl]-2-methoxybenzoic acid Traditional Name: 5-[2-(2,5-dimethoxyphenyl)ethynyl]-2-methoxy-benzoic acid Formula: C18H16O5 MolecularWeight: 312.31664

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)C#CC2=CC(=C(C=C2)OC)C(=O)O

Isomeric SMILES

COC1=CC(=C(C=C1)OC)C#CC2=CC(=C(C=C2)OC)C(=O)O

InChI

InChI=1S/C18H16O5/c1-21-14-7-9-16(22-2)13(11-14)6-4-12-5-8-17(23-3)15(10-12)18(19)20/h5,7-11H,1-3H3,(H,19,20)