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

Systemtic Name: 4-[2-(2-azanyl-5-nitro-phenyl)sulfonylethyl]benzenesulfonic acid Openeye Name: 4-[2-(2-amino-5-nitro-phenyl)sulfonylethyl]benzenesulfonic acid CAS Name: 4-[2-(2-amino-5-nitrophenyl)sulfonylethyl]benzenesulfonic acid IUPAC Name: 4-[2-(2-amino-5-nitrophenyl)sulfonylethyl]benzenesulfonic acid Traditional Name: 4-[2-(2-amino-5-nitro-phenyl)sulfonylethyl]besylic acid Formula: C14H14N2O7S2 MolecularWeight: 386.40016

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CCS(=O)(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N)S(=O)(=O)O

Isomeric SMILES

C1=CC(=CC=C1CCS(=O)(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N)S(=O)(=O)O

InChI

InChI=1S/C14H14N2O7S2/c15-13-6-3-11(16(17)18)9-14(13)24(19,20)8-7-10-1-4-12(5-2-10)25(21,22)23/h1-6,9H,7-8,15H2,(H,21,22,23)