1-isocyanato-2-methyl-4-pentan-3-yl-benzene

Systemtic Name: 1-isocyanato-2-methyl-4-pentan-3-yl-benzene Openeye Name: 4-(1-ethylpropyl)-1-isocyanato-2-methyl-benzene CAS Name: 1-isocyanato-2-methyl-4-pentan-3-ylbenzene IUPAC Name: 1-isocyanato-2-methyl-4-pentan-3-ylbenzene Traditional Name: 4-(1-ethylpropyl)-1-isocyanato-2-methyl-benzene Formula: C13H17NO MolecularWeight: 203.28018

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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