6-[4-(4-chlorophenyl)carbonyl-3-fluoranyl-phenoxy]hexyl-methyl-prop-2-enyl-azanium; (E)-4-oxidanyl-4-oxidanylidene-but-2-enoate

Systemtic Name: 6-[4-(4-chlorophenyl)carbonyl-3-fluoranyl-phenoxy]hexyl-methyl-prop-2-enyl-azanium; (E)-4-oxidanyl-4-oxidanylidene-but-2-enoate Openeye Name: allyl-[6-[4-(4-chlorobenzoyl)-3-fluoro-phenoxy]hexyl]-methyl-ammonium; (E)-4-hydroxy-4-oxo-but-2-enoate CAS Name: 6-[4-[(4-chlorophenyl)-oxomethyl]-3-fluorophenoxy]hexyl-methyl-prop-2-enylammonium; (E)-4-hydroxy-4-oxo-2-butenoate IUPAC Name: 6-[4-(4-chlorobenzoyl)-3-fluorophenoxy]hexyl-methyl-prop-2-enylazanium; (E)-4-hydroxy-4-oxobut-2-enoate Traditional Name: allyl-[6-[4-(4-chlorobenzoyl)-3-fluoro-phenoxy]hexyl]-methyl-ammonium; (E)-4-hydroxy-4-keto-but-2-enoate Formula: C27H31ClFNO6 MolecularWeight: 519.989543

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CCCCCCOC1=CC(=C(C=C1)C(=O)C2=CC=C(C=C2)Cl)F)CC=C.C(=CC(=O)[O-])C(=O)O

Isomeric SMILES

C[NH+](CCCCCCOC1=CC(=C(C=C1)C(=O)C2=CC=C(C=C2)Cl)F)CC=C.C(=C/C(=O)[O-])\C(=O)O

InChI

InChI=1S/C23H27ClFNO2.C4H4O4/c1-3-14-26(2)15-6-4-5-7-16-28-20-12-13-21(22(25)17-20)23(27)18-8-10-19(24)11-9-18;5-3(6)1-2-4(7)8/h3,8-13,17H,1,4-7,14-16H2,2H3;1-2H,(H,5,6)(H,7,8)/b;2-1+