4-dodecoxy-2-(4-ethynylphenyl)benzoate

Systemtic Name: 4-dodecoxy-2-(4-ethynylphenyl)benzoate Openeye Name: 4-dodecoxy-2-(4-ethynylphenyl)benzoate CAS Name: 4-dodecoxy-2-(4-ethynylphenyl)benzoate IUPAC Name: 4-dodecoxy-2-(4-ethynylphenyl)benzoate Traditional Name: 2-(4-ethynylphenyl)-4-lauryloxy-benzoate Formula: C27H33O3- MolecularWeight: 405.54912

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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)/p-1