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

Systemtic Name: 1-(3,3-dimethylbut-1-ynyl)-2-isocyanato-benzene Openeye Name: 1-(3,3-dimethylbut-1-ynyl)-2-isocyanato-benzene CAS Name: 1-(3,3-dimethylbut-1-ynyl)-2-isocyanatobenzene IUPAC Name: 1-(3,3-dimethylbut-1-ynyl)-2-isocyanatobenzene Traditional Name: 1-(3,3-dimethylbut-1-ynyl)-2-isocyanato-benzene Formula: C13H13NO MolecularWeight: 199.24842

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C#CC1=CC=CC=C1N=C=O

Isomeric SMILES

CC(C)(C)C#CC1=CC=CC=C1N=C=O

InChI

InChI=1S/C13H13NO/c1-13(2,3)9-8-11-6-4-5-7-12(11)14-10-15/h4-7H,1-3H3