[(2S,4S)-2,4-dimethylheptyl] 4-nitrobenzenesulfonate

Systemtic Name: [(2S,4S)-2,4-dimethylheptyl] 4-nitrobenzenesulfonate Openeye Name: [(2S,4S)-2,4-dimethylheptyl] 4-nitrobenzenesulfonate CAS Name: 4-nitrobenzenesulfonic acid [(2S,4S)-2,4-dimethylheptyl] ester IUPAC Name: [(2S,4S)-2,4-dimethylheptyl] 4-nitrobenzenesulfonate Traditional Name: 4-nitrobenzenesulfonic acid [(2S,4S)-2,4-dimethylheptyl] ester Formula: C15H23NO5S MolecularWeight: 329.41182

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)CC(C)COS(=O)(=O)C1=CC=C(C=C1)[N+](=O)[O-]

Isomeric SMILES

CCC[C@H](C)C[C@H](C)COS(=O)(=O)C1=CC=C(C=C1)[N+](=O)[O-]

InChI

InChI=1S/C15H23NO5S/c1-4-5-12(2)10-13(3)11-21-22(19,20)15-8-6-14(7-9-15)16(17)18/h6-9,12-13H,4-5,10-11H2,1-3H3/t12-,13-/m0/s1