2-[(7-nitro-2,1,3-benzoxadiazol-4-yl)sulfanyl]ethyl benzenesulfonate

Systemtic Name: 2-[(7-nitro-2,1,3-benzoxadiazol-4-yl)sulfanyl]ethyl benzenesulfonate Openeye Name: 2-[(7-nitro-2,1,3-benzoxadiazol-4-yl)sulfanyl]ethyl benzenesulfonate CAS Name: benzenesulfonic acid 2-[(7-nitro-2,1,3-benzoxadiazol-4-yl)thio]ethyl ester IUPAC Name: 2-[(7-nitro-2,1,3-benzoxadiazol-4-yl)sulfanyl]ethyl benzenesulfonate Traditional Name: benzenesulfonic acid 2-[(7-nitrobenzofurazan-4-yl)thio]ethyl ester Formula: C14H11N3O6S2 MolecularWeight: 381.38364

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)S(=O)(=O)OCCSC2=CC=C(C3=NON=C23)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)S(=O)(=O)OCCSC2=CC=C(C3=NON=C23)[N+](=O)[O-]

InChI

InChI=1S/C14H11N3O6S2/c18-17(19)11-6-7-12(14-13(11)15-23-16-14)24-9-8-22-25(20,21)10-4-2-1-3-5-10/h1-7H,8-9H2