disodium 4-(2-piperidin-1-ylethoxycarbonyl)benzene-1,2-diolate

Systemtic Name: disodium 4-(2-piperidin-1-ylethoxycarbonyl)benzene-1,2-diolate Openeye Name: disodium 4-[2-(1-piperidyl)ethoxycarbonyl]benzene-1,2-diolate CAS Name: disodium 4-[oxo-[2-(1-piperidinyl)ethoxy]methyl]benzene-1,2-diolate IUPAC Name: disodium 4-(2-piperidin-1-ylethoxycarbonyl)benzene-1,2-diolate Traditional Name: disodium 4-(2-piperidinoethoxycarbonyl)benzene-1,2-diolate Formula: C14H17NNa2O4 MolecularWeight: 309.26862

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CCOC(=O)C2=CC(=C(C=C2)[O-])[O-].[Na+].[Na+]

Isomeric SMILES

C1CCN(CC1)CCOC(=O)C2=CC(=C(C=C2)[O-])[O-].[Na+].[Na+]

InChI

InChI=1S/C14H19NO4.2Na/c16-12-5-4-11(10-13(12)17)14(18)19-9-8-15-6-2-1-3-7-15;;/h4-5,10,16-17H,1-3,6-9H2;;/q;2*+1/p-2