phenyl 2-(2,6-dinitrophenyl)ethanesulfonate

Systemtic Name: phenyl 2-(2,6-dinitrophenyl)ethanesulfonate Openeye Name: phenyl 2-(2,6-dinitrophenyl)ethanesulfonate CAS Name: 2-(2,6-dinitrophenyl)ethanesulfonic acid phenyl ester IUPAC Name: phenyl 2-(2,6-dinitrophenyl)ethanesulfonate Traditional Name: 2-(2,6-dinitrophenyl)ethanesulfonic acid phenyl ester Formula: C14H12N2O7S MolecularWeight: 352.31928

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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