5-[2-(3-carboxy-4-ethynyl-phenyl)propan-2-yl]-2-ethynyl-benzoic acid

Systemtic Name: 5-[2-(3-carboxy-4-ethynyl-phenyl)propan-2-yl]-2-ethynyl-benzoic acid Openeye Name: 5-[1-(3-carboxy-4-ethynyl-phenyl)-1-methyl-ethyl]-2-ethynyl-benzoic acid CAS Name: 5-[2-(3-carboxy-4-ethynylphenyl)propan-2-yl]-2-ethynylbenzoic acid IUPAC Name: 5-[2-(3-carboxy-4-ethynylphenyl)propan-2-yl]-2-ethynylbenzoic acid Traditional Name: 5-[1-(3-carboxy-4-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#C)C(=O)O)C2=CC(=C(C=C2)C#C)C(=O)O

Isomeric SMILES

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

InChI

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