4-octadecanoyl-3,5-bis(trifluoromethyl)cyclopenta-2,5-diene-1,2-dicarbonitrile

Systemtic Name: 4-octadecanoyl-3,5-bis(trifluoromethyl)cyclopenta-2,5-diene-1,2-dicarbonitrile Openeye Name: 4-octadecanoyl-3,5-bis(trifluoromethyl)cyclopenta-2,5-diene-1,2-dicarbonitrile CAS Name: 4-(1-oxooctadecyl)-3,5-bis(trifluoromethyl)cyclopenta-2,5-diene-1,2-dicarbonitrile IUPAC Name: 4-octadecanoyl-3,5-bis(trifluoromethyl)cyclopenta-2,5-diene-1,2-dicarbonitrile Traditional Name: 4-stearoyl-3,5-bis(trifluoromethyl)cyclopenta-2,5-diene-1,2-dicarbonitrile Formula: C27H36F6N2O MolecularWeight: 518.577959

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)C1C(=C(C(=C1C(F)(F)F)C#N)C#N)C(F)(F)F

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)C1C(=C(C(=C1C(F)(F)F)C#N)C#N)C(F)(F)F

InChI

InChI=1S/C27H36F6N2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22(36)23-24(26(28,29)30)20(18-34)21(19-35)25(23)27(31,32)33/h23H,2-17H2,1H3