(5-chloranyl-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 4-chloranyl-3-methylsulfonyl-benzoate

Systemtic Name: (5-chloranyl-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 4-chloranyl-3-methylsulfonyl-benzoate Openeye Name: (5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 4-chloro-3-methylsulfonyl-benzoate CAS Name: 4-chloro-3-methylsulfonylbenzoic acid (5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl ester IUPAC Name: (5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 4-chloro-3-methylsulfonylbenzoate Traditional Name: 4-chloro-3-mesyl-benzoic acid (5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl ester Formula: C17H14Cl2O6S MolecularWeight: 417.26046

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=C(C=CC(=C1)C(=O)OCC2=CC3=C(C(=C2)Cl)OCCO3)Cl

Isomeric SMILES

CS(=O)(=O)C1=C(C=CC(=C1)C(=O)OCC2=CC3=C(C(=C2)Cl)OCCO3)Cl

InChI

InChI=1S/C17H14Cl2O6S/c1-26(21,22)15-8-11(2-3-12(15)18)17(20)25-9-10-6-13(19)16-14(7-10)23-4-5-24-16/h2-3,6-8H,4-5,9H2,1H3