1-(3,3-dimethylbut-1-ynyl)-2-isocyano-benzene

Systemtic Name: 1-(3,3-dimethylbut-1-ynyl)-2-isocyano-benzene Openeye Name: 1-(3,3-dimethylbut-1-ynyl)-2-isocyano-benzene CAS Name: 1-(3,3-dimethylbut-1-ynyl)-2-isocyanobenzene IUPAC Name: 1-(3,3-dimethylbut-1-ynyl)-2-isocyanobenzene Traditional Name: 1-(3,3-dimethylbut-1-ynyl)-2-isocyano-benzene Formula: C13H13N MolecularWeight: 183.24902

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C#CC1=CC=CC=C1[N+]#[C-]

Isomeric SMILES

CC(C)(C)C#CC1=CC=CC=C1[N+]#[C-]

InChI

InChI=1S/C13H13N/c1-13(2,3)10-9-11-7-5-6-8-12(11)14-4/h5-8H,1-3H3