5-tert-butyl-1,3-diethyl-2-isocyanato-benzene

Systemtic Name: 5-tert-butyl-1,3-diethyl-2-isocyanato-benzene Openeye Name: 5-tert-butyl-1,3-diethyl-2-isocyanato-benzene CAS Name: 5-tert-butyl-1,3-diethyl-2-isocyanatobenzene IUPAC Name: 5-tert-butyl-1,3-diethyl-2-isocyanatobenzene Traditional Name: 5-tert-butyl-1,3-diethyl-2-isocyanato-benzene Formula: C15H21NO MolecularWeight: 231.33334

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=CC(=C1N=C=O)CC)C(C)(C)C

Isomeric SMILES

CCC1=CC(=CC(=C1N=C=O)CC)C(C)(C)C

InChI

InChI=1S/C15H21NO/c1-6-11-8-13(15(3,4)5)9-12(7-2)14(11)16-10-17/h8-9H,6-7H2,1-5H3