[(2S)-2-methylpentyl] 4-nitrobenzenesulfonate

Systemtic Name: [(2S)-2-methylpentyl] 4-nitrobenzenesulfonate Openeye Name: [(2S)-2-methylpentyl] 4-nitrobenzenesulfonate CAS Name: 4-nitrobenzenesulfonic acid [(2S)-2-methylpentyl] ester IUPAC Name: [(2S)-2-methylpentyl] 4-nitrobenzenesulfonate Traditional Name: 4-nitrobenzenesulfonic acid [(2S)-2-methylpentyl] ester Formula: C12H17NO5S MolecularWeight: 287.33208

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H17NO5S/c1-3-4-10(2)9-18-19(16,17)12-7-5-11(6-8-12)13(14)15/h5-8,10H,3-4,9H2,1-2H3/t10-/m0/s1