2,6-bis(oxidanyl)hexyl 4-methylbenzenesulfonate

Systemtic Name: 2,6-bis(oxidanyl)hexyl 4-methylbenzenesulfonate Openeye Name: 2,6-dihydroxyhexyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 2,6-dihydroxyhexyl ester IUPAC Name: 2,6-dihydroxyhexyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 2,6-dihydroxyhexyl ester Formula: C13H20O5S MolecularWeight: 288.3599

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC(CCCCO)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCC(CCCCO)O

InChI

InChI=1S/C13H20O5S/c1-11-5-7-13(8-6-11)19(16,17)18-10-12(15)4-2-3-9-14/h5-8,12,14-15H,2-4,9-10H2,1H3