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

Systemtic Name: 4-[2-(4-carboxy-2-hex-2-ynyl-phenyl)propan-2-yl]-3-hex-2-ynyl-benzoic acid Openeye Name: 4-[1-(4-carboxy-2-hex-2-ynyl-phenyl)-1-methyl-ethyl]-3-hex-2-ynyl-benzoic acid CAS Name: 4-[2-(4-carboxy-2-hex-2-ynylphenyl)propan-2-yl]-3-hex-2-ynylbenzoic acid IUPAC Name: 4-[2-(4-carboxy-2-hex-2-ynylphenyl)propan-2-yl]-3-hex-2-ynylbenzoic acid Traditional Name: 4-[1-(4-carboxy-2-hex-2-ynyl-phenyl)-1-methyl-ethyl]-3-hex-2-ynyl-benzoic acid Formula: C29H32O4 MolecularWeight: 444.56198

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Descriptors Computed from Structure

Canonical SMILES:

CCCC#CCC1=C(C=CC(=C1)C(=O)O)C(C)(C)C2=C(C=C(C=C2)C(=O)O)CC#CCCC

Isomeric SMILES

CCCC#CCC1=C(C=CC(=C1)C(=O)O)C(C)(C)C2=C(C=C(C=C2)C(=O)O)CC#CCCC

InChI

InChI=1S/C29H32O4/c1-5-7-9-11-13-21-19-23(27(30)31)15-17-25(21)29(3,4)26-18-16-24(28(32)33)20-22(26)14-12-10-8-6-2/h15-20H,5-8,13-14H2,1-4H3,(H,30,31)(H,32,33)