2-butyl-1-isocyanato-3-(isocyanatomethyl)benzene

Systemtic Name: 2-butyl-1-isocyanato-3-(isocyanatomethyl)benzene Openeye Name: 2-butyl-1-isocyanato-3-(isocyanatomethyl)benzene CAS Name: 2-butyl-1-isocyanato-3-(isocyanatomethyl)benzene IUPAC Name: 2-butyl-1-isocyanato-3-(isocyanatomethyl)benzene Traditional Name: 2-butyl-1-isocyanato-3-(isocyanatomethyl)benzene Formula: C13H14N2O2 MolecularWeight: 230.26246

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C=CC=C1N=C=O)CN=C=O

Isomeric SMILES

CCCCC1=C(C=CC=C1N=C=O)CN=C=O

InChI

InChI=1S/C13H14N2O2/c1-2-3-6-12-11(8-14-9-16)5-4-7-13(12)15-10-17/h4-5,7H,2-3,6,8H2,1H3