O12-ethyl O1-methyl 2-cyanododecanedioate

Systemtic Name: O12-ethyl O1-methyl 2-cyanododecanedioate Openeye Name: O12-ethyl O1-methyl 2-cyanododecanedioate CAS Name: 2-cyanododecanedioic acid O12-ethyl ester O1-methyl ester IUPAC Name: 12-O-ethyl 1-O-methyl 2-cyanododecanedioate Traditional Name: 2-cyanododecanedioic acid O12-ethyl ester O1-methyl ester Formula: C16H27NO4 MolecularWeight: 297.38988

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCCCCCCCC(C#N)C(=O)OC

Isomeric SMILES

CCOC(=O)CCCCCCCCCC(C#N)C(=O)OC

InChI

InChI=1S/C16H27NO4/c1-3-21-15(18)12-10-8-6-4-5-7-9-11-14(13-17)16(19)20-2/h14H,3-12H2,1-2H3