2-(11-oxidanyl-11-oxidanylidene-undecoxy)-4-[3-(trifluoromethyl)-1,2-diazirin-3-yl]benzoic acid

Systemtic Name: 2-(11-oxidanyl-11-oxidanylidene-undecoxy)-4-[3-(trifluoromethyl)-1,2-diazirin-3-yl]benzoic acid Openeye Name: 2-(11-hydroxy-11-oxo-undecoxy)-4-[3-(trifluoromethyl)diazirin-3-yl]benzoic acid CAS Name: 2-(11-hydroxy-11-oxoundecoxy)-4-[3-(trifluoromethyl)-3-diazirinyl]benzoic acid IUPAC Name: 2-(11-hydroxy-11-oxoundecoxy)-4-[3-(trifluoromethyl)diazirin-3-yl]benzoic acid Traditional Name: 2-(11-hydroxy-11-keto-undecoxy)-4-[3-(trifluoromethyl)diazirin-3-yl]benzoic acid Formula: C20H25F3N2O5 MolecularWeight: 431.410764

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C2(N=N2)C(F)(F)F)OCCCCCCCCCCC(=O)O)C(=O)O

Isomeric SMILES

C1=CC(=C(C=C1C2(N=N2)C(F)(F)F)OCCCCCCCCCCC(=O)O)[13C](=O)O

InChI

InChI=1S/C20H25F3N2O5/c21-20(22,23)19(24-25-19)14-10-11-15(18(28)29)16(13-14)30-12-8-6-4-2-1-3-5-7-9-17(26)27/h10-11,13H,1-9,12H2,(H,26,27)(H,28,29)/i18+1