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

Systemtic Name: 2-[2-(2-carboxy-5-ethynyl-phenyl)propan-2-yl]-4-ethynyl-benzoic acid Openeye Name: 2-[1-(2-carboxy-5-ethynyl-phenyl)-1-methyl-ethyl]-4-ethynyl-benzoic acid CAS Name: 2-[2-(2-carboxy-5-ethynylphenyl)propan-2-yl]-4-ethynylbenzoic acid IUPAC Name: 2-[2-(2-carboxy-5-ethynylphenyl)propan-2-yl]-4-ethynylbenzoic acid Traditional Name: 2-[1-(2-carboxy-5-ethynyl-phenyl)-1-methyl-ethyl]-4-ethynyl-benzoic acid Formula: C21H16O4 MolecularWeight: 332.34934

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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