4-[2-(2,6-dinitrophenyl)ethyl]benzenesulfonate

Systemtic Name: 4-[2-(2,6-dinitrophenyl)ethyl]benzenesulfonate Openeye Name: 4-[2-(2,6-dinitrophenyl)ethyl]benzenesulfonate CAS Name: 4-[2-(2,6-dinitrophenyl)ethyl]benzenesulfonate IUPAC Name: 4-[2-(2,6-dinitrophenyl)ethyl]benzenesulfonate Traditional Name: 4-[2-(2,6-dinitrophenyl)ethyl]besylate Formula: C14H11N2O7S- MolecularWeight: 351.31134

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C(=C1)[N+](=O)[O-])CCC2=CC=C(C=C2)S(=O)(=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC(=C(C(=C1)[N+](=O)[O-])CCC2=CC=C(C=C2)S(=O)(=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C14H12N2O7S/c17-15(18)13-2-1-3-14(16(19)20)12(13)9-6-10-4-7-11(8-5-10)24(21,22)23/h1-5,7-8H,6,9H2,(H,21,22,23)/p-1