1,4-dioxane; [3,4,5-tris(oxidanyl)-1-oxidanylidene-pentan-2-yl] 4-methylbenzenesulfonate

Systemtic Name: 1,4-dioxane; [3,4,5-tris(oxidanyl)-1-oxidanylidene-pentan-2-yl] 4-methylbenzenesulfonate Openeye Name: 1,4-dioxane; (1-formyl-2,3,4-trihydroxy-butyl) 4-methylbenzenesulfonate CAS Name: 1,4-dioxane; 4-methylbenzenesulfonic acid (3,4,5-trihydroxy-1-oxopentan-2-yl) ester IUPAC Name: 1,4-dioxane; (3,4,5-trihydroxy-1-oxopentan-2-yl) 4-methylbenzenesulfonate Traditional Name: 1,4-dioxane; 4-methylbenzenesulfonic acid (1-formyl-2,3,4-trihydroxy-butyl) ester Formula: C16H24O9S MolecularWeight: 392.42136

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC(C=O)C(C(CO)O)O.C1COCCO1

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC(C=O)C(C(CO)O)O.C1COCCO1

InChI

InChI=1S/C12H16O7S.C4H8O2/c1-8-2-4-9(5-3-8)20(17,18)19-11(7-14)12(16)10(15)6-13;1-2-6-4-3-5-1/h2-5,7,10-13,15-16H,6H2,1H3;1-4H2