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

Systemtic Name: 2-[(7-nitro-2,1,3-benzoxadiazol-4-yl)sulfanyl]ethyl 4-methoxybenzenesulfonate Openeye Name: 2-[(7-nitro-2,1,3-benzoxadiazol-4-yl)sulfanyl]ethyl 4-methoxybenzenesulfonate CAS Name: 4-methoxybenzenesulfonic 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 4-methoxybenzenesulfonate Traditional Name: 4-methoxybenzenesulfonic acid 2-[(7-nitrobenzofurazan-4-yl)thio]ethyl ester Formula: C15H13N3O7S2 MolecularWeight: 411.40962

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)OCCSC2=CC=C(C3=NON=C23)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)OCCSC2=CC=C(C3=NON=C23)[N+](=O)[O-]

InChI

InChI=1S/C15H13N3O7S2/c1-23-10-2-4-11(5-3-10)27(21,22)24-8-9-26-13-7-6-12(18(19)20)14-15(13)17-25-16-14/h2-7H,8-9H2,1H3