[3-[1,2-bis(oxidanyl)-3-oxidanylidene-propyl]oxiran-2-yl]methyl 4-methylbenzenesulfonate

Systemtic Name: [3-[1,2-bis(oxidanyl)-3-oxidanylidene-propyl]oxiran-2-yl]methyl 4-methylbenzenesulfonate Openeye Name: [3-(1,2-dihydroxy-3-oxo-propyl)oxiran-2-yl]methyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [3-(1,2-dihydroxy-3-oxopropyl)-2-oxiranyl]methyl ester IUPAC Name: [3-(1,2-dihydroxy-3-oxopropyl)oxiran-2-yl]methyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [3-(1,2-dihydroxy-3-keto-propyl)oxiran-2-yl]methyl ester Formula: C13H16O7S MolecularWeight: 316.32694

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC2C(O2)C(C(C=O)O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCC2C(O2)C(C(C=O)O)O

InChI

InChI=1S/C13H16O7S/c1-8-2-4-9(5-3-8)21(17,18)19-7-11-13(20-11)12(16)10(15)6-14/h2-6,10-13,15-16H,7H2,1H3