[(3aS,5S,6aR)-3a-(hydroxymethyl)-2,2-dimethyl-6-oxidanyl-6,6a-dihydro-5H-furo[2,3-d][1,3]dioxol-5-yl]methyl 4-methylbenzenesulfonate

Systemtic Name: [(3aS,5S,6aR)-3a-(hydroxymethyl)-2,2-dimethyl-6-oxidanyl-6,6a-dihydro-5H-furo[2,3-d][1,3]dioxol-5-yl]methyl 4-methylbenzenesulfonate Openeye Name: [(3aS,5S,6aR)-6-hydroxy-3a-(hydroxymethyl)-2,2-dimethyl-6,6a-dihydro-5H-furo[2,3-d][1,3]dioxol-5-yl]methyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(3aS,5S,6aR)-6-hydroxy-3a-(hydroxymethyl)-2,2-dimethyl-6,6a-dihydro-5H-furo[2,3-d][1,3]dioxol-5-yl]methyl ester IUPAC Name: [(3aS,5S,6aR)-6-hydroxy-3a-(hydroxymethyl)-2,2-dimethyl-6,6a-dihydro-5H-furo[2,3-d][1,3]dioxol-5-yl]methyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(3aS,5S,6aR)-6-hydroxy-2,2-dimethyl-3a-methylol-6,6a-dihydro-5H-furo[2,3-d][1,3]dioxol-5-yl]methyl ester Formula: C16H22O8S MolecularWeight: 374.40608

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC2C(C3C(O2)(OC(O3)(C)C)CO)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC[C@H]2C([C@@H]3[C@@](O2)(OC(O3)(C)C)CO)O

InChI

InChI=1S/C16H22O8S/c1-10-4-6-11(7-5-10)25(19,20)21-8-12-13(18)14-16(9-17,22-12)24-15(2,3)23-14/h4-7,12-14,17-18H,8-9H2,1-3H3/t12-,13?,14+,16-/m0/s1