4-[2-(1,1,2,3,3-pentamethyl-2H-inden-5-yl)ethynyl]benzenecarbonitrile

Systemtic Name: 4-[2-(1,1,2,3,3-pentamethyl-2H-inden-5-yl)ethynyl]benzenecarbonitrile Openeye Name: 4-[2-(1,1,2,3,3-pentamethylindan-5-yl)ethynyl]benzonitrile CAS Name: 4-[2-(1,1,2,3,3-pentamethyl-2H-inden-5-yl)ethynyl]benzonitrile IUPAC Name: 4-[2-(1,1,2,3,3-pentamethyl-2H-inden-5-yl)ethynyl]benzonitrile Traditional Name: 4-[2-(1,1,2,3,3-pentamethylindan-5-yl)ethynyl]benzonitrile Formula: C23H23N MolecularWeight: 313.43542

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C2=C(C1(C)C)C=C(C=C2)C#CC3=CC=C(C=C3)C#N)(C)C

Isomeric SMILES

CC1C(C2=C(C1(C)C)C=C(C=C2)C#CC3=CC=C(C=C3)C#N)(C)C

InChI

InChI=1S/C23H23N/c1-16-22(2,3)20-13-12-18(14-21(20)23(16,4)5)9-6-17-7-10-19(15-24)11-8-17/h7-8,10-14,16H,1-5H3