1,1,2,2-tetraethoxyundec-3-yn-5-yl benzoate

Systemtic Name: 1,1,2,2-tetraethoxyundec-3-yn-5-yl benzoate Openeye Name: 1-(3,3,4,4-tetraethoxybut-1-ynyl)heptyl benzoate CAS Name: benzoic acid 1,1,2,2-tetraethoxyundec-3-yn-5-yl ester IUPAC Name: 1,1,2,2-tetraethoxyundec-3-yn-5-yl benzoate Traditional Name: benzoic acid (4,4,5,5-tetraethoxy-1-hexyl-pent-2-ynyl) ester Formula: C26H40O6 MolecularWeight: 448.5922

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C#CC(C(OCC)OCC)(OCC)OCC)OC(=O)C1=CC=CC=C1

Isomeric SMILES

CCCCCCC(C#CC(C(OCC)OCC)(OCC)OCC)OC(=O)C1=CC=CC=C1

InChI

InChI=1S/C26H40O6/c1-6-11-12-16-19-23(32-24(27)22-17-14-13-15-18-22)20-21-26(30-9-4,31-10-5)25(28-7-2)29-8-3/h13-15,17-18,23,25H,6-12,16,19H2,1-5H3