1,4-diisocyanatobutylcycloheptane

Systemtic Name: 1,4-diisocyanatobutylcycloheptane Openeye Name: 1,4-diisocyanatobutylcycloheptane CAS Name: 1,4-diisocyanatobutylcycloheptane IUPAC Name: 1,4-diisocyanatobutylcycloheptane Traditional Name: 1,4-diisocyanatobutylcycloheptane Formula: C13H20N2O2 MolecularWeight: 236.3101

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CC1)C(CCCN=C=O)N=C=O

Isomeric SMILES

C1CCCC(CC1)C(CCCN=C=O)N=C=O

InChI

InChI=1S/C13H20N2O2/c16-10-14-9-5-8-13(15-11-17)12-6-3-1-2-4-7-12/h12-13H,1-9H2