1,4-bis(2-chlorophenyl)-1,4-diphenyl-but-2-yne-1,4-diol

Systemtic Name: 1,4-bis(2-chlorophenyl)-1,4-diphenyl-but-2-yne-1,4-diol Openeye Name: 1,4-bis(2-chlorophenyl)-1,4-diphenyl-but-2-yne-1,4-diol CAS Name: 1,4-bis(2-chlorophenyl)-1,4-diphenyl-2-butyne-1,4-diol IUPAC Name: 1,4-bis(2-chlorophenyl)-1,4-diphenylbut-2-yne-1,4-diol Traditional Name: 1,4-bis(2-chlorophenyl)-1,4-diphenyl-but-2-yne-1,4-diol Formula: C28H20Cl2O2 MolecularWeight: 459.3632

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C#CC(C2=CC=CC=C2)(C3=CC=CC=C3Cl)O)(C4=CC=CC=C4Cl)O

Isomeric SMILES

C1=CC=C(C=C1)C(C#CC(C2=CC=CC=C2)(C3=CC=CC=C3Cl)O)(C4=CC=CC=C4Cl)O

InChI

InChI=1S/C28H20Cl2O2/c29-25-17-9-7-15-23(25)27(31,21-11-3-1-4-12-21)19-20-28(32,22-13-5-2-6-14-22)24-16-8-10-18-26(24)30/h1-18,31-32H