(5-bromanyl-1,3-dioxan-5-yl)methyl 4-methylbenzenesulfonate

Systemtic Name: (5-bromanyl-1,3-dioxan-5-yl)methyl 4-methylbenzenesulfonate Openeye Name: (5-bromo-1,3-dioxan-5-yl)methyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid (5-bromo-1,3-dioxan-5-yl)methyl ester IUPAC Name: (5-bromo-1,3-dioxan-5-yl)methyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (5-bromo-1,3-dioxan-5-yl)methyl ester Formula: C12H15BrO5S MolecularWeight: 351.2135

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC2(COCOC2)Br

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCC2(COCOC2)Br

InChI

InChI=1S/C12H15BrO5S/c1-10-2-4-11(5-3-10)19(14,15)18-8-12(13)6-16-9-17-7-12/h2-5H,6-9H2,1H3