4-[2-(4-carboxy-3-ethynyl-phenyl)propan-2-yl]-2-ethynyl-benzoic acid

Systemtic Name: 4-[2-(4-carboxy-3-ethynyl-phenyl)propan-2-yl]-2-ethynyl-benzoic acid Openeye Name: 4-[1-(4-carboxy-3-ethynyl-phenyl)-1-methyl-ethyl]-2-ethynyl-benzoic acid CAS Name: 4-[2-(4-carboxy-3-ethynylphenyl)propan-2-yl]-2-ethynylbenzoic acid IUPAC Name: 4-[2-(4-carboxy-3-ethynylphenyl)propan-2-yl]-2-ethynylbenzoic acid Traditional Name: 4-[1-(4-carboxy-3-ethynyl-phenyl)-1-methyl-ethyl]-2-ethynyl-benzoic acid Formula: C21H16O4 MolecularWeight: 332.34934

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H16O4/c1-5-13-11-15(7-9-17(13)19(22)23)21(3,4)16-8-10-18(20(24)25)14(6-2)12-16/h1-2,7-12H,3-4H3,(H,22,23)(H,24,25)