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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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