[(2S)-5-oxidanyl-2,3-dihydro-1,4-benzodioxin-2-yl]methyl 4-methylbenzenesulfonate

Systemtic Name: [(2S)-5-oxidanyl-2,3-dihydro-1,4-benzodioxin-2-yl]methyl 4-methylbenzenesulfonate Openeye Name: [(2S)-5-hydroxy-2,3-dihydro-1,4-benzodioxin-2-yl]methyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(2S)-5-hydroxy-2,3-dihydro-1,4-benzodioxin-2-yl]methyl ester IUPAC Name: [(2S)-5-hydroxy-2,3-dihydro-1,4-benzodioxin-2-yl]methyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(2S)-5-hydroxy-2,3-dihydro-1,4-benzodioxin-2-yl]methyl ester Formula: C16H16O6S MolecularWeight: 336.35964

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC2COC3=C(O2)C=CC=C3O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC[C@@H]2COC3=C(O2)C=CC=C3O

InChI

InChI=1S/C16H16O6S/c1-11-5-7-13(8-6-11)23(18,19)21-10-12-9-20-16-14(17)3-2-4-15(16)22-12/h2-8,12,17H,9-10H2,1H3/t12-/m0/s1