1-butan-2-yl-3-ethyl-2-isocyanato-benzene

Systemtic Name: 1-butan-2-yl-3-ethyl-2-isocyanato-benzene Openeye Name: 1-ethyl-2-isocyanato-3-sec-butyl-benzene CAS Name: 1-butan-2-yl-3-ethyl-2-isocyanatobenzene IUPAC Name: 1-butan-2-yl-3-ethyl-2-isocyanatobenzene Traditional Name: 1-ethyl-2-isocyanato-3-sec-butyl-benzene Formula: C13H17NO MolecularWeight: 203.28018

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CC=C1)C(C)CC)N=C=O

Isomeric SMILES

CCC1=C(C(=CC=C1)C(C)CC)N=C=O

InChI

InChI=1S/C13H17NO/c1-4-10(3)12-8-6-7-11(5-2)13(12)14-9-15/h6-8,10H,4-5H2,1-3H3