6-oxidanylheptan-2-yl 4-methylbenzenesulfonate

Systemtic Name: 6-oxidanylheptan-2-yl 4-methylbenzenesulfonate Openeye Name: (5-hydroxy-1-methyl-hexyl) 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 6-hydroxyheptan-2-yl ester IUPAC Name: 6-hydroxyheptan-2-yl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (5-hydroxy-1-methyl-hexyl) ester Formula: C14H22O4S MolecularWeight: 286.38708

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H22O4S/c1-11-7-9-14(10-8-11)19(16,17)18-13(3)6-4-5-12(2)15/h7-10,12-13,15H,4-6H2,1-3H3