1-hexyl-3,4-bis(1-isocyanatooctyl)-2-octyl-cyclohexane

Systemtic Name: 1-hexyl-3,4-bis(1-isocyanatooctyl)-2-octyl-cyclohexane Openeye Name: 1-hexyl-3,4-bis(1-isocyanatooctyl)-2-octyl-cyclohexane CAS Name: 1-hexyl-3,4-bis(1-isocyanatooctyl)-2-octylcyclohexane IUPAC Name: 1-hexyl-3,4-bis(1-isocyanatooctyl)-2-octylcyclohexane Traditional Name: 1-hexyl-3,4-bis(1-isocyanatooctyl)-2-octyl-cyclohexane Formula: C38H70N2O2 MolecularWeight: 586.9746

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1C(CCC(C1C(CCCCCCC)N=C=O)C(CCCCCCC)N=C=O)CCCCCC

Isomeric SMILES

CCCCCCCCC1C(CCC(C1C(CCCCCCC)N=C=O)C(CCCCCCC)N=C=O)CCCCCC

InChI

InChI=1S/C38H70N2O2/c1-5-9-13-17-20-22-26-34-33(25-21-16-12-8-4)29-30-35(36(39-31-41)27-23-18-14-10-6-2)38(34)37(40-32-42)28-24-19-15-11-7-3/h33-38H,5-30H2,1-4H3