4-[4-(2-azanyl-5-nitro-phenyl)sulfonylbutyl]benzenesulfonic acid

Systemtic Name: 4-[4-(2-azanyl-5-nitro-phenyl)sulfonylbutyl]benzenesulfonic acid Openeye Name: 4-[4-(2-amino-5-nitro-phenyl)sulfonylbutyl]benzenesulfonic acid CAS Name: 4-[4-(2-amino-5-nitrophenyl)sulfonylbutyl]benzenesulfonic acid IUPAC Name: 4-[4-(2-amino-5-nitrophenyl)sulfonylbutyl]benzenesulfonic acid Traditional Name: 4-[4-(2-amino-5-nitro-phenyl)sulfonylbutyl]besylic acid Formula: C16H18N2O7S2 MolecularWeight: 414.45332

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CCCCS(=O)(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N)S(=O)(=O)O

Isomeric SMILES

C1=CC(=CC=C1CCCCS(=O)(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N)S(=O)(=O)O

InChI

InChI=1S/C16H18N2O7S2/c17-15-9-6-13(18(19)20)11-16(15)26(21,22)10-2-1-3-12-4-7-14(8-5-12)27(23,24)25/h4-9,11H,1-3,10,17H2,(H,23,24,25)