2-(2-hex-2-ynylphenoxy)terephthalic acid

Systemtic Name: 2-(2-hex-2-ynylphenoxy)terephthalic acid Openeye Name: 2-(2-hex-2-ynylphenoxy)terephthalic acid CAS Name: 2-(2-hex-2-ynylphenoxy)terephthalic acid IUPAC Name: 2-(2-hex-2-ynylphenoxy)terephthalic acid Traditional Name: 2-(2-hex-2-ynylphenoxy)terephthalic acid Formula: C20H18O5 MolecularWeight: 338.35392

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC#CCC1=CC=CC=C1OC2=C(C=CC(=C2)C(=O)O)C(=O)O

Isomeric SMILES

CCCC#CCC1=CC=CC=C1OC2=C(C=CC(=C2)C(=O)O)C(=O)O

InChI

InChI=1S/C20H18O5/c1-2-3-4-5-8-14-9-6-7-10-17(14)25-18-13-15(19(21)22)11-12-16(18)20(23)24/h6-7,9-13H,2-3,8H2,1H3,(H,21,22)(H,23,24)