[4-[(2S)-butan-2-yl]phenyl] 4-nitrobenzenesulfonate

Systemtic Name: [4-[(2S)-butan-2-yl]phenyl] 4-nitrobenzenesulfonate Openeye Name: [4-[(1S)-1-methylpropyl]phenyl] 4-nitrobenzenesulfonate CAS Name: 4-nitrobenzenesulfonic acid [4-[(2S)-butan-2-yl]phenyl] ester IUPAC Name: [4-[(2S)-butan-2-yl]phenyl] 4-nitrobenzenesulfonate Traditional Name: 4-nitrobenzenesulfonic acid [4-[(1S)-1-methylpropyl]phenyl] ester Formula: C16H17NO5S MolecularWeight: 335.37488

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC[C@H](C)C1=CC=C(C=C1)OS(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C16H17NO5S/c1-3-12(2)13-4-8-15(9-5-13)22-23(20,21)16-10-6-14(7-11-16)17(18)19/h4-12H,3H2,1-2H3/t12-/m0/s1