(E)-13-[(4Z)-16-oxidanylidenecyclohexadec-4-en-1-yl]tridec-2-enenitrile

Systemtic Name: (E)-13-[(4Z)-16-oxidanylidenecyclohexadec-4-en-1-yl]tridec-2-enenitrile Openeye Name: (E)-13-[(4Z)-16-oxocyclohexadec-4-en-1-yl]tridec-2-enenitrile CAS Name: (E)-13-[(4Z)-16-oxo-1-cyclohexadec-4-enyl]-2-tridecenenitrile IUPAC Name: (E)-13-[(4Z)-16-oxocyclohexadec-4-en-1-yl]tridec-2-enenitrile Traditional Name: (E)-13-[(4Z)-16-ketocyclohexadec-4-en-1-yl]tridec-2-enenitrile Formula: C29H49NO MolecularWeight: 427.70546

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCCCC(=O)C(CCC=CCCCC1)CCCCCCCCCCC=CC#N

Isomeric SMILES

C1CCCCCC(=O)C(CC/C=C\CCCC1)CCCCCCCCCC/C=C/C#N

InChI

InChI=1S/C29H49NO/c30-27-23-19-15-11-7-3-5-9-13-17-21-25-28-24-20-16-12-8-4-1-2-6-10-14-18-22-26-29(28)31/h12,16,19,23,28H,1-11,13-15,17-18,20-22,24-26H2/b16-12-,23-19+