triethyl (2E,9E)-4-cyano-3-ethyl-11-methyl-dodeca-2,9-diene-3,7,7-tricarboxylate

Systemtic Name: triethyl (2E,9E)-4-cyano-3-ethyl-11-methyl-dodeca-2,9-diene-3,7,7-tricarboxylate Openeye Name: triethyl (2E,9E)-4-cyano-3-ethyl-11-methyl-dodeca-2,9-diene-3,7,7-tricarboxylate CAS Name: (2E,9E)-4-cyano-3-ethyl-11-methyldodeca-2,9-diene-3,7,7-tricarboxylic acid triethyl ester IUPAC Name: triethyl (2E,9E)-4-cyano-3-ethyl-11-methyldodeca-2,9-diene-3,7,7-tricarboxylate Traditional Name: (2E,9E)-4-cyano-3-ethyl-11-methyl-dodeca-2,9-diene-3,7,7-tricarboxylic acid triethyl ester Formula: C25H39NO6 MolecularWeight: 449.58026

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=CC)C(CCCC(C=CC(C)C)(C(=O)OCC)C(=O)OCC)(C#N)C(=O)OCC

Isomeric SMILES

CC/C(=C\C)/C(CCCC(/C=C/C(C)C)(C(=O)OCC)C(=O)OCC)(C#N)C(=O)OCC

InChI

InChI=1S/C25H39NO6/c1-8-20(9-2)25(18-26,23(29)32-12-5)16-13-15-24(17-14-19(6)7,21(27)30-10-3)22(28)31-11-4/h8,14,17,19H,9-13,15-16H2,1-7H3/b17-14+,20-8+