4-[4-(3-azanyl-2-nitro-phenyl)sulfonylbutyl]benzenesulfonic acid

Systemtic Name: 4-[4-(3-azanyl-2-nitro-phenyl)sulfonylbutyl]benzenesulfonic acid Openeye Name: 4-[4-(3-amino-2-nitro-phenyl)sulfonylbutyl]benzenesulfonic acid CAS Name: 4-[4-(3-amino-2-nitrophenyl)sulfonylbutyl]benzenesulfonic acid IUPAC Name: 4-[4-(3-amino-2-nitrophenyl)sulfonylbutyl]benzenesulfonic acid Traditional Name: 4-[4-(3-amino-2-nitro-phenyl)sulfonylbutyl]besylic acid Formula: C16H18N2O7S2 MolecularWeight: 414.45332

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C(=C1)S(=O)(=O)CCCCC2=CC=C(C=C2)S(=O)(=O)O)[N+](=O)[O-])N

Isomeric SMILES

C1=CC(=C(C(=C1)S(=O)(=O)CCCCC2=CC=C(C=C2)S(=O)(=O)O)[N+](=O)[O-])N

InChI

InChI=1S/C16H18N2O7S2/c17-14-5-3-6-15(16(14)18(19)20)26(21,22)11-2-1-4-12-7-9-13(10-8-12)27(23,24)25/h3,5-10H,1-2,4,11,17H2,(H,23,24,25)