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1,3-diethyl-6-nitro-2-oxidanylidene-benzimidazole-5-sulfonic acid

1,3-diethyl-6-nitro-2-oxidanylidene-benzimidazole-5-sulfonic acid

Systemtic Name:1,3-diethyl-6-nitro-2-oxidanylidene-benzimidazole-5-sulfonic acid
Openeye Name:1,3-diethyl-6-nitro-2-oxo-benzimidazole-5-sulfonic acid
CAS Name:1,3-diethyl-6-nitro-2-oxo-5-benzimidazolesulfonic acid
IUPAC Name:1,3-diethyl-6-nitro-2-oxobenzimidazole-5-sulfonic acid
Traditional Name:1,3-diethyl-2-keto-6-nitro-benzimidazole-5-sulfonic acid
Formula: C11H13N3O6S
MolecularWeight: 315.30242
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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=CC(=C(C=C2N(C1=O)CC)S(=O)(=O)O)[N+](=O)[O-]


Isomeric SMILES

CCN1C2=CC(=C(C=C2N(C1=O)CC)S(=O)(=O)O)[N+](=O)[O-]


InChI

InChI=1S/C11H13N3O6S/c1-3-12-7-5-9(14(16)17)10(21(18,19)20)6-8(7)13(4-2)11(12)15/h5-6H,3-4H2,1-2H3,(H,18,19,20)


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