[(3aS,5S,6R,6aS)-2,2-dimethyl-6-oxidanyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]methyl 4-chloranylbenzoate

Systemtic Name: [(3aS,5S,6R,6aS)-2,2-dimethyl-6-oxidanyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]methyl 4-chloranylbenzoate Openeye Name: [(3aS,5S,6R,6aS)-6-hydroxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]methyl 4-chlorobenzoate CAS Name: 4-chlorobenzoic acid [(3aS,5S,6R,6aS)-6-hydroxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]methyl ester IUPAC Name: [(3aS,5S,6R,6aS)-6-hydroxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]methyl 4-chlorobenzoate Traditional Name: 4-chlorobenzoic acid [(3aS,5S,6R,6aS)-6-hydroxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]methyl ester Formula: C15H17ClO6 MolecularWeight: 328.74488

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Descriptors Computed from Structure

Canonical SMILES:

CC1(OC2C(C(OC2O1)COC(=O)C3=CC=C(C=C3)Cl)O)C

Isomeric SMILES

CC1(O[C@H]2[C@@H]([C@@H](O[C@H]2O1)COC(=O)C3=CC=C(C=C3)Cl)O)C

InChI

InChI=1S/C15H17ClO6/c1-15(2)21-12-11(17)10(20-14(12)22-15)7-19-13(18)8-3-5-9(16)6-4-8/h3-6,10-12,14,17H,7H2,1-2H3/t10-,11+,12-,14-/m0/s1