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3-heptyl-1,2-bis(9-isocyanatononyl)-4-pentyl-cyclohexane

3-heptyl-1,2-bis(9-isocyanatononyl)-4-pentyl-cyclohexane

Systemtic Name:3-heptyl-1,2-bis(9-isocyanatononyl)-4-pentyl-cyclohexane
Openeye Name:3-heptyl-1,2-bis(9-isocyanatononyl)-4-pentyl-cyclohexane
CAS Name:3-heptyl-1,2-bis(9-isocyanatononyl)-4-pentylcyclohexane
IUPAC Name:3-heptyl-1,2-bis(9-isocyanatononyl)-4-pentylcyclohexane
Traditional Name:1-amyl-2-heptyl-3,4-bis(9-isocyanatononyl)cyclohexane
Formula: C38H70N2O2
MolecularWeight: 586.9746
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1C(CCC(C1CCCCCCCCCN=C=O)CCCCCCCCCN=C=O)CCCCC


Isomeric SMILES

CCCCCCCC1C(CCC(C1CCCCCCCCCN=C=O)CCCCCCCCCN=C=O)CCCCC


InChI

InChI=1S/C38H70N2O2/c1-3-5-7-14-21-27-37-35(25-19-6-4-2)29-30-36(26-20-15-10-8-12-17-23-31-39-33-41)38(37)28-22-16-11-9-13-18-24-32-40-34-42/h35-38H,3-32H2,1-2H3


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