2,2-bis[5-[3-(4-chlorophenyl)prop-2-ynoxy]pent-3-ynyl]propanedinitrile

Systemtic Name: 2,2-bis[5-[3-(4-chlorophenyl)prop-2-ynoxy]pent-3-ynyl]propanedinitrile Openeye Name: 2,2-bis[5-[3-(4-chlorophenyl)prop-2-ynoxy]pent-3-ynyl]propanedinitrile CAS Name: 2,2-bis[5-[3-(4-chlorophenyl)prop-2-ynoxy]pent-3-ynyl]propanedinitrile IUPAC Name: 2,2-bis[5-[3-(4-chlorophenyl)prop-2-ynoxy]pent-3-ynyl]propanedinitrile Traditional Name: 2,2-bis[5-[3-(4-chlorophenyl)prop-2-ynoxy]pent-3-ynyl]malononitrile Formula: C31H24Cl2N2O2 MolecularWeight: 527.44046

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C#CCOCC#CCCC(CCC#CCOCC#CC2=CC=C(C=C2)Cl)(C#N)C#N)Cl

Isomeric SMILES

C1=CC(=CC=C1C#CCOCC#CCCC(CCC#CCOCC#CC2=CC=C(C=C2)Cl)(C#N)C#N)Cl

InChI

InChI=1S/C31H24Cl2N2O2/c32-29-15-11-27(12-16-29)9-7-23-36-21-5-1-3-19-31(25-34,26-35)20-4-2-6-22-37-24-8-10-28-13-17-30(33)18-14-28/h11-18H,3-4,19-24H2