3-(3-carboxy-5-hex-1-ynyl-phenyl)-5-hex-1-ynyl-benzoic acid

Systemtic Name: 3-(3-carboxy-5-hex-1-ynyl-phenyl)-5-hex-1-ynyl-benzoic acid Openeye Name: 3-(3-carboxy-5-hex-1-ynyl-phenyl)-5-hex-1-ynyl-benzoic acid CAS Name: 3-(3-carboxy-5-hex-1-ynylphenyl)-5-hex-1-ynylbenzoic acid IUPAC Name: 3-(3-carboxy-5-hex-1-ynylphenyl)-5-hex-1-ynylbenzoic acid Traditional Name: 3-(3-carboxy-5-hex-1-ynyl-phenyl)-5-hex-1-ynyl-benzoic acid Formula: C26H26O4 MolecularWeight: 402.48224

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H26O4/c1-3-5-7-9-11-19-13-21(17-23(15-19)25(27)28)22-14-20(12-10-8-6-4-2)16-24(18-22)26(29)30/h13-18H,3-8H2,1-2H3,(H,27,28)(H,29,30)