[2-heptyl-3,4-bis(9-isocyanatononyl)cyclohexyl]benzene

Systemtic Name: [2-heptyl-3,4-bis(9-isocyanatononyl)cyclohexyl]benzene Openeye Name: [2-heptyl-3,4-bis(9-isocyanatononyl)cyclohexyl]benzene CAS Name: [2-heptyl-3,4-bis(9-isocyanatononyl)cyclohexyl]benzene IUPAC Name: [2-heptyl-3,4-bis(9-isocyanatononyl)cyclohexyl]benzene Traditional Name: [2-heptyl-3,4-bis(9-isocyanatononyl)cyclohexyl]benzene Formula: C39H64N2O2 MolecularWeight: 592.93766

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1C(CCC(C1CCCCCCCCCN=C=O)CCCCCCCCCN=C=O)C2=CC=CC=C2

Isomeric SMILES

CCCCCCCC1C(CCC(C1CCCCCCCCCN=C=O)CCCCCCCCCN=C=O)C2=CC=CC=C2

InChI

InChI=1S/C39H64N2O2/c1-2-3-4-11-21-28-39-37(27-20-13-8-6-10-15-23-32-41-34-43)36(29-30-38(39)35-24-18-16-19-25-35)26-17-12-7-5-9-14-22-31-40-33-42/h16,18-19,24-25,36-39H,2-15,17,20-23,26-32H2,1H3