2-[4-(4-carboxyphenyl)-2-fluoranyl-6-nitro-phenoxy]ethanoyl-tris(phenylmethyl)azanium

Systemtic Name: 2-[4-(4-carboxyphenyl)-2-fluoranyl-6-nitro-phenoxy]ethanoyl-tris(phenylmethyl)azanium Openeye Name: tribenzyl-[2-[4-(4-carboxyphenyl)-2-fluoro-6-nitro-phenoxy]acetyl]ammonium CAS Name: [2-[4-(4-carboxyphenyl)-2-fluoro-6-nitrophenoxy]-1-oxoethyl]-tris(phenylmethyl)ammonium IUPAC Name: tribenzyl-[2-[4-(4-carboxyphenyl)-2-fluoro-6-nitrophenoxy]acetyl]azanium Traditional Name: tribenzyl-[2-[4-(4-carboxyphenyl)-2-fluoro-6-nitro-phenoxy]acetyl]ammonium Formula: C36H30FN2O6+ MolecularWeight: 605.631603

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C[N+](CC2=CC=CC=C2)(CC3=CC=CC=C3)C(=O)COC4=C(C=C(C=C4F)C5=CC=C(C=C5)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C[N+](CC2=CC=CC=C2)(CC3=CC=CC=C3)C(=O)COC4=C(C=C(C=C4F)C5=CC=C(C=C5)C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C36H29FN2O6/c37-32-20-31(29-16-18-30(19-17-29)36(41)42)21-33(38(43)44)35(32)45-25-34(40)39(22-26-10-4-1-5-11-26,23-27-12-6-2-7-13-27)24-28-14-8-3-9-15-28/h1-21H,22-25H2/p+1