5-oxidanylhexan-2-yl 4-methylbenzenesulfonate

Systemtic Name: 5-oxidanylhexan-2-yl 4-methylbenzenesulfonate Openeye Name: (4-hydroxy-1-methyl-pentyl) 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 5-hydroxyhexan-2-yl ester IUPAC Name: 5-hydroxyhexan-2-yl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (4-hydroxy-1-methyl-pentyl) ester Formula: C13H20O4S MolecularWeight: 272.3605

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC(C)CCC(C)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC(C)CCC(C)O

InChI

InChI=1S/C13H20O4S/c1-10-4-8-13(9-5-10)18(15,16)17-12(3)7-6-11(2)14/h4-5,8-9,11-12,14H,6-7H2,1-3H3