5,5,6,6-tetraethoxyhex-3-yn-2-yl benzoate

Systemtic Name: 5,5,6,6-tetraethoxyhex-3-yn-2-yl benzoate Openeye Name: (4,4,5,5-tetraethoxy-1-methyl-pent-2-ynyl) benzoate CAS Name: benzoic acid 5,5,6,6-tetraethoxyhex-3-yn-2-yl ester IUPAC Name: 5,5,6,6-tetraethoxyhex-3-yn-2-yl benzoate Traditional Name: benzoic acid (4,4,5,5-tetraethoxy-1-methyl-pent-2-ynyl) ester Formula: C21H30O6 MolecularWeight: 378.4593

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H30O6/c1-6-23-20(24-7-2)21(25-8-3,26-9-4)16-15-17(5)27-19(22)18-13-11-10-12-14-18/h10-14,17,20H,6-9H2,1-5H3