1,1,4,4-tetrakis(4-dimethylaminophenyl)but-2-yne-1,4-diol

Systemtic Name: 1,1,4,4-tetrakis(4-dimethylaminophenyl)but-2-yne-1,4-diol Openeye Name: 1,1,4,4-tetrakis(4-dimethylaminophenyl)but-2-yne-1,4-diol CAS Name: 1,1,4,4-tetrakis(4-dimethylaminophenyl)-2-butyne-1,4-diol IUPAC Name: 1,1,4,4-tetrakis(4-dimethylaminophenyl)but-2-yne-1,4-diol Traditional Name: 1,1,4,4-tetrakis(4-dimethylaminophenyl)but-2-yne-1,4-diol Formula: C36H42N4O2 MolecularWeight: 562.74428

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)C(C#CC(C2=CC=C(C=C2)N(C)C)(C3=CC=C(C=C3)N(C)C)O)(C4=CC=C(C=C4)N(C)C)O

Isomeric SMILES

CN(C)C1=CC=C(C=C1)C(C#CC(C2=CC=C(C=C2)N(C)C)(C3=CC=C(C=C3)N(C)C)O)(C4=CC=C(C=C4)N(C)C)O

InChI

InChI=1S/C36H42N4O2/c1-37(2)31-17-9-27(10-18-31)35(41,28-11-19-32(20-12-28)38(3)4)25-26-36(42,29-13-21-33(22-14-29)39(5)6)30-15-23-34(24-16-30)40(7)8/h9-24,41-42H,1-8H3