4-dodecoxy-2-(4-ethynylphenyl)benzoic acid

Systemtic Name: 4-dodecoxy-2-(4-ethynylphenyl)benzoic acid Openeye Name: 4-dodecoxy-2-(4-ethynylphenyl)benzoic acid CAS Name: 4-dodecoxy-2-(4-ethynylphenyl)benzoic acid IUPAC Name: 4-dodecoxy-2-(4-ethynylphenyl)benzoic acid Traditional Name: 2-(4-ethynylphenyl)-4-lauryloxy-benzoic acid Formula: C27H34O3 MolecularWeight: 406.55706

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC1=CC(=C(C=C1)C(=O)O)C2=CC=C(C=C2)C#C

Isomeric SMILES

CCCCCCCCCCCCOC1=CC(=C(C=C1)C(=O)O)C2=CC=C(C=C2)C#C

InChI

InChI=1S/C27H34O3/c1-3-5-6-7-8-9-10-11-12-13-20-30-24-18-19-25(27(28)29)26(21-24)23-16-14-22(4-2)15-17-23/h2,14-19,21H,3,5-13,20H2,1H3,(H,28,29)