2-[2-azanyl-6-(3-azanylpropyl)-3-nitro-phenyl]sulfonylethanesulfonic acid

Systemtic Name: 2-[2-azanyl-6-(3-azanylpropyl)-3-nitro-phenyl]sulfonylethanesulfonic acid Openeye Name: 2-[2-amino-6-(3-aminopropyl)-3-nitro-phenyl]sulfonylethanesulfonic acid CAS Name: 2-[2-amino-6-(3-aminopropyl)-3-nitrophenyl]sulfonylethanesulfonic acid IUPAC Name: 2-[2-amino-6-(3-aminopropyl)-3-nitrophenyl]sulfonylethanesulfonic acid Traditional Name: 2-[2-amino-6-(3-aminopropyl)-3-nitro-phenyl]sulfonylethanesulfonic acid Formula: C11H17N3O7S2 MolecularWeight: 367.39858

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C(=C1CCCN)S(=O)(=O)CCS(=O)(=O)O)N)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=C(C(=C1CCCN)S(=O)(=O)CCS(=O)(=O)O)N)[N+](=O)[O-]

InChI

InChI=1S/C11H17N3O7S2/c12-5-1-2-8-3-4-9(14(15)16)10(13)11(8)22(17,18)6-7-23(19,20)21/h3-4H,1-2,5-7,12-13H2,(H,19,20,21)