2,3-bis(4-chloranylbut-2-ynyl)terephthalic acid

Systemtic Name: 2,3-bis(4-chloranylbut-2-ynyl)terephthalic acid Openeye Name: 2,3-bis(4-chlorobut-2-ynyl)terephthalic acid CAS Name: 2,3-bis(4-chlorobut-2-ynyl)terephthalic acid IUPAC Name: 2,3-bis(4-chlorobut-2-ynyl)terephthalic acid Traditional Name: 2,3-bis(4-chlorobut-2-ynyl)terephthalic acid Formula: C16H12Cl2O4 MolecularWeight: 339.17008

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C(=C1C(=O)O)CC#CCCl)CC#CCCl)C(=O)O

Isomeric SMILES

C1=CC(=C(C(=C1C(=O)O)CC#CCCl)CC#CCCl)C(=O)O

InChI

InChI=1S/C16H12Cl2O4/c17-9-3-1-5-11-12(6-2-4-10-18)14(16(21)22)8-7-13(11)15(19)20/h7-8H,5-6,9-10H2,(H,19,20)(H,21,22)