methyl 12-(2,2,5,5-tetracyano-4-octyl-oxolan-3-yl)dodecanoate

Systemtic Name: methyl 12-(2,2,5,5-tetracyano-4-octyl-oxolan-3-yl)dodecanoate Openeye Name: methyl 12-(2,2,5,5-tetracyano-4-octyl-tetrahydrofuran-3-yl)dodecanoate CAS Name: 12-(2,2,5,5-tetracyano-4-octyl-3-oxolanyl)dodecanoic acid methyl ester IUPAC Name: methyl 12-(2,2,5,5-tetracyano-4-octyloxolan-3-yl)dodecanoate Traditional Name: 12-(2,2,5,5-tetracyano-4-octyl-tetrahydrofuran-3-yl)lauric acid methyl ester Formula: C29H44N4O3 MolecularWeight: 496.68466

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1C(C(OC1(C#N)C#N)(C#N)C#N)CCCCCCCCCCCC(=O)OC

Isomeric SMILES

CCCCCCCCC1C(C(OC1(C#N)C#N)(C#N)C#N)CCCCCCCCCCCC(=O)OC

InChI

InChI=1S/C29H44N4O3/c1-3-4-5-6-12-15-18-25-26(29(23-32,24-33)36-28(25,21-30)22-31)19-16-13-10-8-7-9-11-14-17-20-27(34)35-2/h25-26H,3-20H2,1-2H3