2-(2-carboxy-3-ethynyl-phenyl)-6-ethynyl-benzoic acid

Systemtic Name: 2-(2-carboxy-3-ethynyl-phenyl)-6-ethynyl-benzoic acid Openeye Name: 2-(2-carboxy-3-ethynyl-phenyl)-6-ethynyl-benzoic acid CAS Name: 2-(2-carboxy-3-ethynylphenyl)-6-ethynylbenzoic acid IUPAC Name: 2-(2-carboxy-3-ethynylphenyl)-6-ethynylbenzoic acid Traditional Name: 2-(2-carboxy-3-ethynyl-phenyl)-6-ethynyl-benzoic acid Formula: C18H10O4 MolecularWeight: 290.2696

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C#CC1=C(C(=CC=C1)C2=CC=CC(=C2C(=O)O)C#C)C(=O)O

Isomeric SMILES

C#CC1=C(C(=CC=C1)C2=CC=CC(=C2C(=O)O)C#C)C(=O)O

InChI

InChI=1S/C18H10O4/c1-3-11-7-5-9-13(15(11)17(19)20)14-10-6-8-12(4-2)16(14)18(21)22/h1-2,5-10H,(H,19,20)(H,21,22)