[(2S)-2-(4-nitrophenyl)-2-oxidanyl-ethyl] 4-methylbenzenesulfonate

Systemtic Name: [(2S)-2-(4-nitrophenyl)-2-oxidanyl-ethyl] 4-methylbenzenesulfonate Openeye Name: [(2S)-2-hydroxy-2-(4-nitrophenyl)ethyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(2S)-2-hydroxy-2-(4-nitrophenyl)ethyl] ester IUPAC Name: [(2S)-2-hydroxy-2-(4-nitrophenyl)ethyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(2S)-2-hydroxy-2-(4-nitrophenyl)ethyl] ester Formula: C15H15NO6S MolecularWeight: 337.3477

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC(C2=CC=C(C=C2)[N+](=O)[O-])O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC[C@H](C2=CC=C(C=C2)[N+](=O)[O-])O

InChI

InChI=1S/C15H15NO6S/c1-11-2-8-14(9-3-11)23(20,21)22-10-15(17)12-4-6-13(7-5-12)16(18)19/h2-9,15,17H,10H2,1H3/t15-/m1/s1