2,2-bis(3,4,5-trimethoxyphenyl)hexanedinitrile

Systemtic Name: 2,2-bis(3,4,5-trimethoxyphenyl)hexanedinitrile Openeye Name: 2,2-bis(3,4,5-trimethoxyphenyl)hexanedinitrile CAS Name: 2,2-bis(3,4,5-trimethoxyphenyl)hexanedinitrile IUPAC Name: 2,2-bis(3,4,5-trimethoxyphenyl)hexanedinitrile Traditional Name: 2,2-bis(3,4,5-trimethoxyphenyl)adiponitrile Formula: C24H28N2O6 MolecularWeight: 440.48892

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C(CCCC#N)(C#N)C2=CC(=C(C(=C2)OC)OC)OC

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C(CCCC#N)(C#N)C2=CC(=C(C(=C2)OC)OC)OC

InChI

InChI=1S/C24H28N2O6/c1-27-18-11-16(12-19(28-2)22(18)31-5)24(15-26,9-7-8-10-25)17-13-20(29-3)23(32-6)21(14-17)30-4/h11-14H,7-9H2,1-6H3