hexadecyl-dimethoxy-[2,3,4-tris(bromanyl)-5-carboxy-phenyl]azanium

Systemtic Name: hexadecyl-dimethoxy-[2,3,4-tris(bromanyl)-5-carboxy-phenyl]azanium Openeye Name: hexadecyl-dimethoxy-(2,3,4-tribromo-5-carboxy-phenyl)ammonium CAS Name: hexadecyl-dimethoxy-(2,3,4-tribromo-5-carboxyphenyl)ammonium IUPAC Name: hexadecyl-dimethoxy-(2,3,4-tribromo-5-carboxyphenyl)azanium Traditional Name: cetyl-dimethoxy-(2,3,4-tribromo-5-carboxy-phenyl)ammonium Formula: C25H41Br3NO4+ MolecularWeight: 659.30934

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC[N+](C1=C(C(=C(C(=C1)C(=O)O)Br)Br)Br)(OC)OC

Isomeric SMILES

CCCCCCCCCCCCCCCC[N+](C1=C(C(=C(C(=C1)C(=O)O)Br)Br)Br)(OC)OC

InChI

InChI=1S/C25H40Br3NO4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-29(32-2,33-3)21-19-20(25(30)31)22(26)24(28)23(21)27/h19H,4-18H2,1-3H3/p+1