2,2,2-tris[4-[bis(2-hydroxyethyl)amino]phenyl]ethanenitrile

Systemtic Name: 2,2,2-tris[4-[bis(2-hydroxyethyl)amino]phenyl]ethanenitrile Openeye Name: 2,2,2-tris[4-[bis(2-hydroxyethyl)amino]phenyl]acetonitrile CAS Name: 2,2,2-tris[4-[bis(2-hydroxyethyl)amino]phenyl]acetonitrile IUPAC Name: 2,2,2-tris[4-[bis(2-hydroxyethyl)amino]phenyl]acetonitrile Traditional Name: 2,2,2-tris[4-[bis(2-hydroxyethyl)amino]phenyl]acetonitrile Formula: C32H42N4O6 MolecularWeight: 578.69908

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(C#N)(C2=CC=C(C=C2)N(CCO)CCO)C3=CC=C(C=C3)N(CCO)CCO)N(CCO)CCO

Isomeric SMILES

C1=CC(=CC=C1C(C#N)(C2=CC=C(C=C2)N(CCO)CCO)C3=CC=C(C=C3)N(CCO)CCO)N(CCO)CCO

InChI

InChI=1S/C32H42N4O6/c33-25-32(26-1-7-29(8-2-26)34(13-19-37)14-20-38,27-3-9-30(10-4-27)35(15-21-39)16-22-40)28-5-11-31(12-6-28)36(17-23-41)18-24-42/h1-12,37-42H,13-24H2