nitrobenzene; 2-(trimethylazaniumyl)ethanoate; hydrate

Systemtic Name: nitrobenzene; 2-(trimethylazaniumyl)ethanoate; hydrate Openeye Name: nitrobenzene; 2-(trimethylammonio)acetate; hydrate CAS Name: nitrobenzene; 2-(trimethylammonio)acetate; hydrate IUPAC Name: nitrobenzene; 2-(trimethylazaniumyl)acetate; hydrate Traditional Name: nitrobenzene; 2-(trimethylammonio)acetate; hydrate Formula: C11H18N2O5 MolecularWeight: 258.27102

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C6H5NO2.C5H11NO2.H2O/c8-7(9)6-4-2-1-3-5-6;1-6(2,3)4-5(7)8;/h1-5H;4H2,1-3H3;1H2