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2-(3-carboxy-4-iodanyl-phenoxy)ethyl-triethyl-azanium bromide hydrate

2-(3-carboxy-4-iodanyl-phenoxy)ethyl-triethyl-azanium bromide hydrate

Systemtic Name:2-(3-carboxy-4-iodanyl-phenoxy)ethyl-triethyl-azanium bromide hydrate
Openeye Name:2-(3-carboxy-4-iodo-phenoxy)ethyl-triethyl-ammonium bromide hydrate
CAS Name:2-(3-carboxy-4-iodophenoxy)ethyl-triethylammonium bromide hydrate
IUPAC Name:2-(3-carboxy-4-iodophenoxy)ethyl-triethylazanium bromide hydrate
Traditional Name:2-(3-carboxy-4-iodo-phenoxy)ethyl-triethyl-ammonium bromide hydrate
Formula: C15H25BrINO4
MolecularWeight: 490.17177
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Descriptors Computed from Structure

Canonical SMILES:

CC[N+](CC)(CC)CCOC1=CC(=C(C=C1)I)C(=O)O.O.[Br-]


Isomeric SMILES

CC[N+](CC)(CC)CCOC1=CC(=C(C=C1)I)C(=O)O.O.[Br-]


InChI

InChI=1S/C15H22INO3.BrH.H2O/c1-4-17(5-2,6-3)9-10-20-12-7-8-14(16)13(11-12)15(18)19;;/h7-8,11H,4-6,9-10H2,1-3H3;1H;1H2


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