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

Systemtic Name: 4,5-bis[(E)-hept-1-enyl]-1-(9-isocyanatononyl)cyclohexene Openeye Name: 4,5-bis[(E)-hept-1-enyl]-1-(9-isocyanatononyl)cyclohexene CAS Name: 4,5-bis[(E)-hept-1-enyl]-1-(9-isocyanatononyl)cyclohexene IUPAC Name: 4,5-bis[(E)-hept-1-enyl]-1-(9-isocyanatononyl)cyclohexene Traditional Name: 4,5-bis[(E)-hept-1-enyl]-1-(9-isocyanatononyl)cyclohexene Formula: C30H51NO MolecularWeight: 441.73204

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC=CC1CC=C(CC1C=CCCCCC)CCCCCCCCCN=C=O

Isomeric SMILES

CCCCC/C=C/C1CC=C(CC1/C=C/CCCCC)CCCCCCCCCN=C=O

InChI

InChI=1S/C30H51NO/c1-3-5-7-12-17-21-29-24-23-28(26-30(29)22-18-13-8-6-4-2)20-16-14-10-9-11-15-19-25-31-27-32/h17-18,21-23,29-30H,3-16,19-20,24-26H2,1-2H3/b21-17+,22-18+