4,5-bis[(E)-hept-1-enyl]-3,6-bis(9-isocyanatononyl)cyclohexene

Systemtic Name: 4,5-bis[(E)-hept-1-enyl]-3,6-bis(9-isocyanatononyl)cyclohexene Openeye Name: 4,5-bis[(E)-hept-1-enyl]-3,6-bis(9-isocyanatononyl)cyclohexene CAS Name: 4,5-bis[(E)-hept-1-enyl]-3,6-bis(9-isocyanatononyl)cyclohexene IUPAC Name: 4,5-bis[(E)-hept-1-enyl]-3,6-bis(9-isocyanatononyl)cyclohexene Traditional Name: 4,5-bis[(E)-hept-1-enyl]-3,6-bis(9-isocyanatononyl)cyclohexene Formula: C40H68N2O2 MolecularWeight: 608.98012

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC=CC1C(C=CC(C1C=CCCCCC)CCCCCCCCCN=C=O)CCCCCCCCCN=C=O

Isomeric SMILES

CCCCC/C=C/C1C(C(C=CC1CCCCCCCCCN=C=O)CCCCCCCCCN=C=O)/C=C/CCCCC

InChI

InChI=1S/C40H68N2O2/c1-3-5-7-15-23-29-39-37(27-21-17-11-9-13-19-25-33-41-35-43)31-32-38(40(39)30-24-16-8-6-4-2)28-22-18-12-10-14-20-26-34-42-36-44/h23-24,29-32,37-40H,3-22,25-28,33-34H2,1-2H3/b29-23+,30-24+