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sodium 2-methyl-5-nitro-benzenesulfonate

sodium 2-methyl-5-nitro-benzenesulfonate

Systemtic Name:sodium 2-methyl-5-nitro-benzenesulfonate
Openeye Name:sodium 2-methyl-5-nitro-benzenesulfonate
CAS Name:sodium 2-methyl-5-nitrobenzenesulfonate
IUPAC Name:sodium 2-methyl-5-nitrobenzenesulfonate
Traditional Name:sodium 2-methyl-5-nitro-besylate
Formula: C7H6NNaO5S
MolecularWeight: 239.18101
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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)[O-].[Na+]


Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)[O-].[Na+]


InChI

InChI=1S/C7H7NO5S.Na/c1-5-2-3-6(8(9)10)4-7(5)14(11,12)13;/h2-4H,1H3,(H,11,12,13);/q;+1/p-1


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