2-(1-ethyl-7-methyl-1-nonyl-4-oxidanylidene-cinnolin-1-ium-3-yl)carbonyloxyethanoic acid

Systemtic Name: 2-(1-ethyl-7-methyl-1-nonyl-4-oxidanylidene-cinnolin-1-ium-3-yl)carbonyloxyethanoic acid Openeye Name: 2-(1-ethyl-7-methyl-1-nonyl-4-oxo-cinnolin-1-ium-3-carbonyl)oxyacetic acid CAS Name: 2-[(1-ethyl-7-methyl-1-nonyl-4-oxo-3-cinnolin-1-iumyl)-oxomethoxy]acetic acid IUPAC Name: 2-(1-ethyl-7-methyl-1-nonyl-4-oxocinnolin-1-ium-3-carbonyl)oxyacetic acid Traditional Name: 2-(1-ethyl-4-keto-7-methyl-1-nonyl-cinnolin-1-ium-3-carbonyl)oxyacetic acid Formula: C23H33N2O5+ MolecularWeight: 417.51852

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC[N+]1(C2=C(C=CC(=C2)C)C(=O)C(=N1)C(=O)OCC(=O)O)CC

Isomeric SMILES

CCCCCCCCC[N+]1(C2=C(C=CC(=C2)C)C(=O)C(=N1)C(=O)OCC(=O)O)CC

InChI

InChI=1S/C23H32N2O5/c1-4-6-7-8-9-10-11-14-25(5-2)19-15-17(3)12-13-18(19)22(28)21(24-25)23(29)30-16-20(26)27/h12-13,15H,4-11,14,16H2,1-3H3/p+1