3,4-bis(oxidanyl)-5-[2-(trimethylazaniumyl)ethoxy]benzoate

Systemtic Name: 3,4-bis(oxidanyl)-5-[2-(trimethylazaniumyl)ethoxy]benzoate Openeye Name: 3,4-dihydroxy-5-[2-(trimethylammonio)ethoxy]benzoate CAS Name: 3,4-dihydroxy-5-[2-(trimethylammonio)ethoxy]benzoate IUPAC Name: 3,4-dihydroxy-5-[2-(trimethylazaniumyl)ethoxy]benzoate Traditional Name: 3,4-dihydroxy-5-[2-(trimethylammonio)ethoxy]benzoate Formula: C12H17NO5 MolecularWeight: 255.26708

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(C)CCOC1=CC(=CC(=C1O)O)C(=O)[O-]

Isomeric SMILES

C[N+](C)(C)CCOC1=CC(=CC(=C1O)O)C(=O)[O-]

InChI

InChI=1S/C12H17NO5/c1-13(2,3)4-5-18-10-7-8(12(16)17)6-9(14)11(10)15/h6-7H,4-5H2,1-3H3,(H2-,14,15,16,17)