[(3S)-3-oxidanyl-9-pyridin-3-yl-nonyl] 4-methylbenzenesulfonate

Systemtic Name: [(3S)-3-oxidanyl-9-pyridin-3-yl-nonyl] 4-methylbenzenesulfonate Openeye Name: [(3S)-3-hydroxy-9-(3-pyridyl)nonyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(3S)-3-hydroxy-9-(3-pyridinyl)nonyl] ester IUPAC Name: [(3S)-3-hydroxy-9-pyridin-3-ylnonyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(3S)-3-hydroxy-9-(3-pyridyl)nonyl] ester Formula: C21H29NO4S MolecularWeight: 391.52426

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCCC(CCCCCCC2=CN=CC=C2)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCC[C@H](CCCCCCC2=CN=CC=C2)O

InChI

InChI=1S/C21H29NO4S/c1-18-10-12-21(13-11-18)27(24,25)26-16-14-20(23)9-5-3-2-4-7-19-8-6-15-22-17-19/h6,8,10-13,15,17,20,23H,2-5,7,9,14,16H2,1H3/t20-/m0/s1