4-(2-ethynylphenoxy)phthalic acid

Systemtic Name: 4-(2-ethynylphenoxy)phthalic acid Openeye Name: 4-(2-ethynylphenoxy)phthalic acid CAS Name: 4-(2-ethynylphenoxy)phthalic acid IUPAC Name: 4-(2-ethynylphenoxy)phthalic acid Traditional Name: 4-(2-ethynylphenoxy)phthalic acid Formula: C16H10O5 MolecularWeight: 282.2476

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C#CC1=CC=CC=C1OC2=CC(=C(C=C2)C(=O)O)C(=O)O

Isomeric SMILES

C#CC1=CC=CC=C1OC2=CC(=C(C=C2)C(=O)O)C(=O)O

InChI

InChI=1S/C16H10O5/c1-2-10-5-3-4-6-14(10)21-11-7-8-12(15(17)18)13(9-11)16(19)20/h1,3-9H,(H,17,18)(H,19,20)