[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl 2-chloranyl-5-methylsulfonyl-benzoate

Systemtic Name: [(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl 2-chloranyl-5-methylsulfonyl-benzoate Openeye Name: [(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl 2-chloro-5-methylsulfonyl-benzoate CAS Name: 2-chloro-5-methylsulfonylbenzoic acid [(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl ester IUPAC Name: [(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl 2-chloro-5-methylsulfonylbenzoate Traditional Name: 2-chloro-5-mesyl-benzoic acid [(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl ester Formula: C17H15ClO6S MolecularWeight: 382.8154

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=C(C=C1)Cl)C(=O)OCC2COC3=CC=CC=C3O2

Isomeric SMILES

CS(=O)(=O)C1=CC(=C(C=C1)Cl)C(=O)OC[C@H]2COC3=CC=CC=C3O2

InChI

InChI=1S/C17H15ClO6S/c1-25(20,21)12-6-7-14(18)13(8-12)17(19)23-10-11-9-22-15-4-2-3-5-16(15)24-11/h2-8,11H,9-10H2,1H3/t11-/m1/s1