ditert-butyl (2E,6E)-2,6-bis[(2-chlorophenyl)methylidene]-4,4-dicyano-heptanedioate

Systemtic Name: ditert-butyl (2E,6E)-2,6-bis[(2-chlorophenyl)methylidene]-4,4-dicyano-heptanedioate Openeye Name: ditert-butyl (2E,6E)-2,6-bis[(2-chlorophenyl)methylene]-4,4-dicyano-heptanedioate CAS Name: (2E,6E)-2,6-bis[(2-chlorophenyl)methylidene]-4,4-dicyanoheptanedioic acid ditert-butyl ester IUPAC Name: ditert-butyl (2E,6E)-2,6-bis[(2-chlorophenyl)methylidene]-4,4-dicyanoheptanedioate Traditional Name: (2E,6E)-2,6-bis(2-chlorobenzylidene)-4,4-dicyano-pimelic acid ditert-butyl ester Formula: C31H32Cl2N2O4 MolecularWeight: 567.50278

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C(=CC1=CC=CC=C1Cl)CC(CC(=CC2=CC=CC=C2Cl)C(=O)OC(C)(C)C)(C#N)C#N

Isomeric SMILES

CC(OC(=O)/C(=C/C1=CC=CC=C1Cl)/CC(C#N)(C#N)C/C(=C\C2=CC=CC=C2Cl)/C(=O)OC(C)(C)C)(C)C

InChI

InChI=1S/C31H32Cl2N2O4/c1-29(2,3)38-27(36)23(15-21-11-7-9-13-25(21)32)17-31(19-34,20-35)18-24(28(37)39-30(4,5)6)16-22-12-8-10-14-26(22)33/h7-16H,17-18H2,1-6H3/b23-15+,24-16+