[5-(bromomethyl)-2-phenyl-1,3-dioxan-5-yl]methyl 4-methylbenzenesulfonate

Systemtic Name: [5-(bromomethyl)-2-phenyl-1,3-dioxan-5-yl]methyl 4-methylbenzenesulfonate Openeye Name: [5-(bromomethyl)-2-phenyl-1,3-dioxan-5-yl]methyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [5-(bromomethyl)-2-phenyl-1,3-dioxan-5-yl]methyl ester IUPAC Name: [5-(bromomethyl)-2-phenyl-1,3-dioxan-5-yl]methyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [5-(bromomethyl)-2-phenyl-1,3-dioxan-5-yl]methyl ester Formula: C19H21BrO5S MolecularWeight: 441.33604

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC2(COC(OC2)C3=CC=CC=C3)CBr

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCC2(COC(OC2)C3=CC=CC=C3)CBr

InChI

InChI=1S/C19H21BrO5S/c1-15-7-9-17(10-8-15)26(21,22)25-14-19(11-20)12-23-18(24-13-19)16-5-3-2-4-6-16/h2-10,18H,11-14H2,1H3