7-butoxycarbonyl-8-oxidanylidene-1-azoniabicyclo[4.2.0]oct-1-ene-3,7-dicarboxylic acid

Systemtic Name: 7-butoxycarbonyl-8-oxidanylidene-1-azoniabicyclo[4.2.0]oct-1-ene-3,7-dicarboxylic acid Openeye Name: 7-butoxycarbonyl-8-oxo-1-azoniabicyclo[4.2.0]oct-1-ene-3,7-dicarboxylic acid CAS Name: 7-[butoxy(oxo)methyl]-8-oxo-1-azoniabicyclo[4.2.0]oct-1-ene-3,7-dicarboxylic acid IUPAC Name: 7-butoxycarbonyl-8-oxo-1-azoniabicyclo[4.2.0]oct-1-ene-3,7-dicarboxylic acid Traditional Name: 7-butoxycarbonyl-8-keto-1-azoniabicyclo[4.2.0]oct-1-ene-3,7-dicarboxylic acid Formula: C14H18NO7+ MolecularWeight: 312.29522

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1(C2CCC(C=[N+]2C1=O)C(=O)O)C(=O)O

Isomeric SMILES

CCCCOC(=O)C1(C2CCC(C=[N+]2C1=O)C(=O)O)C(=O)O

InChI

InChI=1S/C14H17NO7/c1-2-3-6-22-13(21)14(12(19)20)9-5-4-8(10(16)17)7-15(9)11(14)18/h7-9H,2-6H2,1H3,(H-,16,17,19,20)/p+1