1-isocyanatohexane; 2-isocyanato-2-methyl-propane

Systemtic Name: 1-isocyanatohexane; 2-isocyanato-2-methyl-propane Openeye Name: 1-isocyanatohexane; 2-isocyanato-2-methyl-propane CAS Name: 1-isocyanatohexane; 2-isocyanato-2-methylpropane IUPAC Name: 1-isocyanatohexane; 2-isocyanato-2-methylpropane Traditional Name: 1-isocyanatohexane; 2-isocyanato-2-methyl-propane Formula: C12H22N2O2 MolecularWeight: 226.31528

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN=C=O.CC(C)(C)N=C=O

Isomeric SMILES

CCCCCCN=C=O.CC(C)(C)N=C=O

InChI

InChI=1S/C7H13NO.C5H9NO/c1-2-3-4-5-6-8-7-9;1-5(2,3)6-4-7/h2-6H2,1H3;1-3H3