4-(1,4-diazepan-4-ium-1-ylsulfonyl)-2-nitro-phenolate

Systemtic Name: 4-(1,4-diazepan-4-ium-1-ylsulfonyl)-2-nitro-phenolate Openeye Name: 4-(1,4-diazepan-4-ium-1-ylsulfonyl)-2-nitro-phenolate CAS Name: 4-(1,4-diazepan-4-ium-1-ylsulfonyl)-2-nitrophenolate IUPAC Name: 4-(1,4-diazepan-4-ium-1-ylsulfonyl)-2-nitrophenolate Traditional Name: 4-(1,4-diazepan-4-ium-1-ylsulfonyl)-2-nitro-phenolate Formula: C11H15N3O5S MolecularWeight: 301.3189

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH2+]CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)[O-])[N+](=O)[O-]

Isomeric SMILES

C1C[NH2+]CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)[O-])[N+](=O)[O-]

InChI

InChI=1S/C11H15N3O5S/c15-11-3-2-9(8-10(11)14(16)17)20(18,19)13-6-1-4-12-5-7-13/h2-3,8,12,15H,1,4-7H2