4-[4-(4-carboxy-3-methyl-phenyl)buta-1,3-diynyl]-2-methyl-benzoic acid

Systemtic Name: 4-[4-(4-carboxy-3-methyl-phenyl)buta-1,3-diynyl]-2-methyl-benzoic acid Openeye Name: 4-[4-(4-carboxy-3-methyl-phenyl)buta-1,3-diynyl]-2-methyl-benzoic acid CAS Name: 4-[4-(4-carboxy-3-methylphenyl)buta-1,3-diynyl]-2-methylbenzoic acid IUPAC Name: 4-[4-(4-carboxy-3-methylphenyl)buta-1,3-diynyl]-2-methylbenzoic acid Traditional Name: 4-[4-(4-carboxy-3-methyl-phenyl)buta-1,3-diynyl]-2-methyl-benzoic acid Formula: C20H14O4 MolecularWeight: 318.32276

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C#CC#CC2=CC(=C(C=C2)C(=O)O)C)C(=O)O

Isomeric SMILES

CC1=C(C=CC(=C1)C#CC#CC2=CC(=C(C=C2)C(=O)O)C)C(=O)O

InChI

InChI=1S/C20H14O4/c1-13-11-15(7-9-17(13)19(21)22)5-3-4-6-16-8-10-18(20(23)24)14(2)12-16/h7-12H,1-2H3,(H,21,22)(H,23,24)