azanium 2-butoxycarbonylbenzoate

Systemtic Name: azanium 2-butoxycarbonylbenzoate Openeye Name: ammonium 2-butoxycarbonylbenzoate CAS Name: ammonium 2-[butoxy(oxo)methyl]benzoate IUPAC Name: azanium 2-butoxycarbonylbenzoate Traditional Name: ammonium 2-butoxycarbonylbenzoate Formula: C12H17NO4 MolecularWeight: 239.26768

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=CC=C1C(=O)[O-].[NH4+]

Isomeric SMILES

CCCCOC(=O)C1=CC=CC=C1C(=O)[O-].[NH4+]

InChI

InChI=1S/C12H14O4.H3N/c1-2-3-8-16-12(15)10-7-5-4-6-9(10)11(13)14;/h4-7H,2-3,8H2,1H3,(H,13,14);1H3