(4-chloranyl-3-oxidanyl-butyl) 4-methylbenzenesulfonate

Systemtic Name: (4-chloranyl-3-oxidanyl-butyl) 4-methylbenzenesulfonate Openeye Name: (4-chloro-3-hydroxy-butyl) 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid (4-chloro-3-hydroxybutyl) ester IUPAC Name: (4-chloro-3-hydroxybutyl) 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (4-chloro-3-hydroxy-butyl) ester Formula: C11H15ClO4S MolecularWeight: 278.7524

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCCC(CCl)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCCC(CCl)O

InChI

InChI=1S/C11H15ClO4S/c1-9-2-4-11(5-3-9)17(14,15)16-7-6-10(13)8-12/h2-5,10,13H,6-8H2,1H3