[2-oxidanyl-2-(5-oxidanyl-2-phenyl-1,3-dioxan-4-yl)ethyl] 4-methylbenzenesulfonate

Systemtic Name: [2-oxidanyl-2-(5-oxidanyl-2-phenyl-1,3-dioxan-4-yl)ethyl] 4-methylbenzenesulfonate Openeye Name: [2-hydroxy-2-(5-hydroxy-2-phenyl-1,3-dioxan-4-yl)ethyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [2-hydroxy-2-(5-hydroxy-2-phenyl-1,3-dioxan-4-yl)ethyl] ester IUPAC Name: [2-hydroxy-2-(5-hydroxy-2-phenyl-1,3-dioxan-4-yl)ethyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [2-hydroxy-2-(5-hydroxy-2-phenyl-1,3-dioxan-4-yl)ethyl] ester Formula: C19H22O7S MolecularWeight: 394.43878

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC(C2C(COC(O2)C3=CC=CC=C3)O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCC(C2C(COC(O2)C3=CC=CC=C3)O)O

InChI

InChI=1S/C19H22O7S/c1-13-7-9-15(10-8-13)27(22,23)25-12-17(21)18-16(20)11-24-19(26-18)14-5-3-2-4-6-14/h2-10,16-21H,11-12H2,1H3