[2-(1,3-benzoxazol-2-yl)phenyl] 4-nitrobenzenesulfonate

Systemtic Name: [2-(1,3-benzoxazol-2-yl)phenyl] 4-nitrobenzenesulfonate Openeye Name: [2-(1,3-benzoxazol-2-yl)phenyl] 4-nitrobenzenesulfonate CAS Name: 4-nitrobenzenesulfonic acid [2-(1,3-benzoxazol-2-yl)phenyl] ester IUPAC Name: [2-(1,3-benzoxazol-2-yl)phenyl] 4-nitrobenzenesulfonate Traditional Name: 4-nitrobenzenesulfonic acid [2-(1,3-benzoxazol-2-yl)phenyl] ester Formula: C19H12N2O6S MolecularWeight: 396.37338

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C2=NC3=CC=CC=C3O2)OS(=O)(=O)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C(=C1)C2=NC3=CC=CC=C3O2)OS(=O)(=O)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C19H12N2O6S/c22-21(23)13-9-11-14(12-10-13)28(24,25)27-17-7-3-1-5-15(17)19-20-16-6-2-4-8-18(16)26-19/h1-12H