2-[2-(2-carboxy-6-hex-1-ynyl-phenyl)propan-2-yl]-3-hex-1-ynyl-benzoic acid

Systemtic Name: 2-[2-(2-carboxy-6-hex-1-ynyl-phenyl)propan-2-yl]-3-hex-1-ynyl-benzoic acid Openeye Name: 2-[1-(2-carboxy-6-hex-1-ynyl-phenyl)-1-methyl-ethyl]-3-hex-1-ynyl-benzoic acid CAS Name: 2-[2-(2-carboxy-6-hex-1-ynylphenyl)propan-2-yl]-3-hex-1-ynylbenzoic acid IUPAC Name: 2-[2-(2-carboxy-6-hex-1-ynylphenyl)propan-2-yl]-3-hex-1-ynylbenzoic acid Traditional Name: 2-[1-(2-carboxy-6-hex-1-ynyl-phenyl)-1-methyl-ethyl]-3-hex-1-ynyl-benzoic acid Formula: C29H32O4 MolecularWeight: 444.56198

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC#CC1=C(C(=CC=C1)C(=O)O)C(C)(C)C2=C(C=CC=C2C(=O)O)C#CCCCC

Isomeric SMILES

CCCCC#CC1=C(C(=CC=C1)C(=O)O)C(C)(C)C2=C(C=CC=C2C(=O)O)C#CCCCC

InChI

InChI=1S/C29H32O4/c1-5-7-9-11-15-21-17-13-19-23(27(30)31)25(21)29(3,4)26-22(16-12-10-8-6-2)18-14-20-24(26)28(32)33/h13-14,17-20H,5-10H2,1-4H3,(H,30,31)(H,32,33)