1,6-diisocyanato-5,6-dimethyl-heptane; 1,6,11-triisocyanatoundecane

Systemtic Name: 1,6-diisocyanato-5,6-dimethyl-heptane; 1,6,11-triisocyanatoundecane Openeye Name: 1,6-diisocyanato-5,6-dimethyl-heptane; 1,6,11-triisocyanatoundecane CAS Name: 1,6-diisocyanato-5,6-dimethylheptane; 1,6,11-triisocyanatoundecane IUPAC Name: 1,6-diisocyanato-5,6-dimethylheptane; 1,6,11-triisocyanatoundecane Traditional Name: 1,6-diisocyanato-5,6-dimethyl-heptane; 1,6,11-triisocyanatoundecane Formula: C25H39N5O5 MolecularWeight: 489.60766

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCCCN=C=O)C(C)(C)N=C=O.C(CCC(CCCCCN=C=O)N=C=O)CCN=C=O

Isomeric SMILES

CC(CCCCN=C=O)C(C)(C)N=C=O.C(CCC(CCCCCN=C=O)N=C=O)CCN=C=O

InChI

InChI=1S/C14H21N3O3.C11H18N2O2/c18-11-15-9-5-1-3-7-14(17-13-20)8-4-2-6-10-16-12-19;1-10(11(2,3)13-9-15)6-4-5-7-12-8-14/h14H,1-10H2;10H,4-7H2,1-3H3