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oxidanium; 3-[bis(oxidanyl)methyl]-5-nitro-benzoic acid; zinc; dihydrate

oxidanium; 3-[bis(oxidanyl)methyl]-5-nitro-benzoic acid; zinc; dihydrate

Systemtic Name:oxidanium; 3-[bis(oxidanyl)methyl]-5-nitro-benzoic acid; zinc; dihydrate
Openeye Name:oxonium; 3-(dihydroxymethyl)-5-nitro-benzoic acid; zinc; dihydrate
CAS Name:oxonium; 3-(dihydroxymethyl)-5-nitrobenzoic acid; zinc; dihydrate
IUPAC Name:oxidanium; 3-(dihydroxymethyl)-5-nitrobenzoic acid; zinc; dihydrate
Traditional Name:oxonium; 3-(dihydroxymethyl)-5-nitro-benzoic acid; zinc; dihydrate
Formula: C8H14NO9Zn3+
MolecularWeight: 464.42506
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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C=C1[N+](=O)[O-])C(=O)O)C(O)O.[OH3+].O.O.[Zn].[Zn].[Zn]


Isomeric SMILES

C1=C(C=C(C=C1[N+](=O)[O-])C(=O)O)C(O)O.[OH3+].O.O.[Zn].[Zn].[Zn]


InChI

InChI=1S/C8H7NO6.3H2O.3Zn/c10-7(11)4-1-5(8(12)13)3-6(2-4)9(14)15;;;;;;/h1-3,7,10-11H,(H,12,13);3*1H2;;;/p+1


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