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sodium 3-(2-oxidanidyl-2-oxidanylidene-1-phosphonato-ethoxy)-5-[oxidanidyl(oxidanyl)phosphoryl]oxy-benzoate

sodium 3-(2-oxidanidyl-2-oxidanylidene-1-phosphonato-ethoxy)-5-[oxidanidyl(oxidanyl)phosphoryl]oxy-benzoate

Systemtic Name:sodium 3-(2-oxidanidyl-2-oxidanylidene-1-phosphonato-ethoxy)-5-[oxidanidyl(oxidanyl)phosphoryl]oxy-benzoate
Openeye Name:sodium 3-[hydroxy(oxido)phosphoryl]oxy-5-(2-oxido-2-oxo-1-phosphonato-ethoxy)benzoate
CAS Name:sodium 3-[hydroxy(oxido)phosphoryl]oxy-5-(2-oxido-2-oxo-1-phosphonatoethoxy)benzoate
IUPAC Name:sodium 3-[hydroxy(oxido)phosphoryl]oxy-5-(2-oxido-2-oxo-1-phosphonatoethoxy)benzoate
Traditional Name:sodium 3-[hydroxy(oxido)phosphoryl]oxy-5-(2-keto-2-oxido-1-phosphonato-ethoxy)benzoate
Formula: C9H5NaO12P2-4
MolecularWeight: 390.066092
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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C=C1OC(C(=O)[O-])P(=O)([O-])[O-])OP(=O)(O)[O-])C(=O)[O-].[Na+]


Isomeric SMILES

C1=C(C=C(C=C1OC(C(=O)[O-])P(=O)([O-])[O-])OP(=O)(O)[O-])C(=O)[O-].[Na+]


InChI

InChI=1S/C9H10O12P2.Na/c10-7(11)4-1-5(3-6(2-4)21-23(17,18)19)20-9(8(12)13)22(14,15)16;/h1-3,9H,(H,10,11)(H,12,13)(H2,14,15,16)(H2,17,18,19);/q;+1/p-5


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