sodium 3-(4-methyl-3-nitro-phenyl)sulfonylpropanoate

Systemtic Name: sodium 3-(4-methyl-3-nitro-phenyl)sulfonylpropanoate Openeye Name: sodium 3-(4-methyl-3-nitro-phenyl)sulfonylpropanoate CAS Name: sodium 3-(4-methyl-3-nitrophenyl)sulfonylpropanoate IUPAC Name: sodium 3-(4-methyl-3-nitrophenyl)sulfonylpropanoate Traditional Name: sodium 3-(4-methyl-3-nitro-phenyl)sulfonylpropionate Formula: C10H10NNaO6S MolecularWeight: 295.24427

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H11NO6S.Na/c1-7-2-3-8(6-9(7)11(14)15)18(16,17)5-4-10(12)13;/h2-3,6H,4-5H2,1H3,(H,12,13);/q;+1/p-1