8-(5,5,6,6-tetracyano-4-hexyl-cyclohex-2-en-1-yl)octanoic acid

Systemtic Name: 8-(5,5,6,6-tetracyano-4-hexyl-cyclohex-2-en-1-yl)octanoic acid Openeye Name: 8-(5,5,6,6-tetracyano-4-hexyl-cyclohex-2-en-1-yl)octanoic acid CAS Name: 8-(5,5,6,6-tetracyano-4-hexyl-1-cyclohex-2-enyl)octanoic acid IUPAC Name: 8-(5,5,6,6-tetracyano-4-hexylcyclohex-2-en-1-yl)octanoic acid Traditional Name: 8-(5,5,6,6-tetracyano-4-hexyl-cyclohex-2-en-1-yl)caprylic acid Formula: C24H32N4O2 MolecularWeight: 408.53648

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1C=CC(C(C1(C#N)C#N)(C#N)C#N)CCCCCCCC(=O)O

Isomeric SMILES

CCCCCCC1C=CC(C(C1(C#N)C#N)(C#N)C#N)CCCCCCCC(=O)O

InChI

InChI=1S/C24H32N4O2/c1-2-3-4-8-11-20-14-15-21(12-9-6-5-7-10-13-22(29)30)24(18-27,19-28)23(20,16-25)17-26/h14-15,20-21H,2-13H2,1H3,(H,29,30)