5-oxidanylhexan-2-yl 2-methylbenzenesulfonate

Systemtic Name: 5-oxidanylhexan-2-yl 2-methylbenzenesulfonate Openeye Name: (4-hydroxy-1-methyl-pentyl) 2-methylbenzenesulfonate CAS Name: 2-methylbenzenesulfonic acid 5-hydroxyhexan-2-yl ester IUPAC Name: 5-hydroxyhexan-2-yl 2-methylbenzenesulfonate Traditional Name: 2-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=CC=C1S(=O)(=O)OC(C)CCC(C)O

Isomeric SMILES

CC1=CC=CC=C1S(=O)(=O)OC(C)CCC(C)O

InChI

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