4-[3-(4-carboxyphenyl)-2-hex-5-ynyl-phenyl]benzoic acid

Systemtic Name: 4-[3-(4-carboxyphenyl)-2-hex-5-ynyl-phenyl]benzoic acid Openeye Name: 4-[3-(4-carboxyphenyl)-2-hex-5-ynyl-phenyl]benzoic acid CAS Name: 4-[3-(4-carboxyphenyl)-2-hex-5-ynylphenyl]benzoic acid IUPAC Name: 4-[3-(4-carboxyphenyl)-2-hex-5-ynylphenyl]benzoic acid Traditional Name: 4-[3-(4-carboxyphenyl)-2-hex-5-ynyl-phenyl]benzoic acid Formula: C26H22O4 MolecularWeight: 398.45048

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Descriptors Computed from Structure

Canonical SMILES:

C#CCCCCC1=C(C=CC=C1C2=CC=C(C=C2)C(=O)O)C3=CC=C(C=C3)C(=O)O

Isomeric SMILES

C#CCCCCC1=C(C=CC=C1C2=CC=C(C=C2)C(=O)O)C3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C26H22O4/c1-2-3-4-5-7-24-22(18-10-14-20(15-11-18)25(27)28)8-6-9-23(24)19-12-16-21(17-13-19)26(29)30/h1,6,8-17H,3-5,7H2,(H,27,28)(H,29,30)