2-(2-carboxy-3-hex-1-ynyl-phenyl)-6-hex-1-ynyl-benzoic acid

Systemtic Name: 2-(2-carboxy-3-hex-1-ynyl-phenyl)-6-hex-1-ynyl-benzoic acid Openeye Name: 2-(2-carboxy-3-hex-1-ynyl-phenyl)-6-hex-1-ynyl-benzoic acid CAS Name: 2-(2-carboxy-3-hex-1-ynylphenyl)-6-hex-1-ynylbenzoic acid IUPAC Name: 2-(2-carboxy-3-hex-1-ynylphenyl)-6-hex-1-ynylbenzoic acid Traditional Name: 2-(2-carboxy-3-hex-1-ynyl-phenyl)-6-hex-1-ynyl-benzoic acid Formula: C26H26O4 MolecularWeight: 402.48224

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H26O4/c1-3-5-7-9-13-19-15-11-17-21(23(19)25(27)28)22-18-12-16-20(24(22)26(29)30)14-10-8-6-4-2/h11-12,15-18H,3-8H2,1-2H3,(H,27,28)(H,29,30)