(3-oxidanyl-3-phenyl-propyl) 4-nitrobenzenesulfonate

Systemtic Name: (3-oxidanyl-3-phenyl-propyl) 4-nitrobenzenesulfonate Openeye Name: (3-hydroxy-3-phenyl-propyl) 4-nitrobenzenesulfonate CAS Name: 4-nitrobenzenesulfonic acid (3-hydroxy-3-phenylpropyl) ester IUPAC Name: (3-hydroxy-3-phenylpropyl) 4-nitrobenzenesulfonate Traditional Name: 4-nitrobenzenesulfonic acid (3-hydroxy-3-phenyl-propyl) ester Formula: C15H15NO6S MolecularWeight: 337.3477

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H15NO6S/c17-15(12-4-2-1-3-5-12)10-11-22-23(20,21)14-8-6-13(7-9-14)16(18)19/h1-9,15,17H,10-11H2