(4-dodecoxyphenyl) 4-ethynylbenzoate

Systemtic Name: (4-dodecoxyphenyl) 4-ethynylbenzoate Openeye Name: (4-dodecoxyphenyl) 4-ethynylbenzoate CAS Name: 4-ethynylbenzoic acid (4-dodecoxyphenyl) ester IUPAC Name: (4-dodecoxyphenyl) 4-ethynylbenzoate Traditional Name: 4-ethynylbenzoic acid (4-lauryloxyphenyl) ester Formula: C27H34O3 MolecularWeight: 406.55706

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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