[(2S,3S)-2,3-bis(oxidanyl)nonyl] 4-methylbenzenesulfonate

Systemtic Name: [(2S,3S)-2,3-bis(oxidanyl)nonyl] 4-methylbenzenesulfonate Openeye Name: [(2S,3S)-2,3-dihydroxynonyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(2S,3S)-2,3-dihydroxynonyl] ester IUPAC Name: [(2S,3S)-2,3-dihydroxynonyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(2S,3S)-2,3-dihydroxynonyl] ester Formula: C16H26O5S MolecularWeight: 330.43964

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C(COS(=O)(=O)C1=CC=C(C=C1)C)O)O

Isomeric SMILES

CCCCCC[C@@H]([C@H](COS(=O)(=O)C1=CC=C(C=C1)C)O)O

InChI

InChI=1S/C16H26O5S/c1-3-4-5-6-7-15(17)16(18)12-21-22(19,20)14-10-8-13(2)9-11-14/h8-11,15-18H,3-7,12H2,1-2H3/t15-,16-/m0/s1