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

Systemtic Name: benzene; 3-[2-(3-carboxy-2-ethynyl-phenyl)propan-2-yl]-2-ethynyl-benzoic acid Openeye Name: benzene; 3-[1-(3-carboxy-2-ethynyl-phenyl)-1-methyl-ethyl]-2-ethynyl-benzoic acid CAS Name: benzene; 3-[2-(3-carboxy-2-ethynylphenyl)propan-2-yl]-2-ethynylbenzoic acid IUPAC Name: benzene; 3-[2-(3-carboxy-2-ethynylphenyl)propan-2-yl]-2-ethynylbenzoic acid Traditional Name: benzene; 3-[1-(3-carboxy-2-ethynyl-phenyl)-1-methyl-ethyl]-2-ethynyl-benzoic acid Formula: C27H22O4 MolecularWeight: 410.46118

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C1=CC=CC(=C1C#C)C(=O)O)C2=CC=CC(=C2C#C)C(=O)O.C1=CC=CC=C1

Isomeric SMILES

CC(C)(C1=CC=CC(=C1C#C)C(=O)O)C2=CC=CC(=C2C#C)C(=O)O.C1=CC=CC=C1

InChI

InChI=1S/C21H16O4.C6H6/c1-5-13-15(19(22)23)9-7-11-17(13)21(3,4)18-12-8-10-16(20(24)25)14(18)6-2;1-2-4-6-5-3-1/h1-2,7-12H,3-4H3,(H,22,23)(H,24,25);1-6H