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

Systemtic Name: (5-chloranyl-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 4-(methylsulfonylmethyl)benzoate Openeye Name: (5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 4-(methylsulfonylmethyl)benzoate CAS Name: 4-(methylsulfonylmethyl)benzoic 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-(methylsulfonylmethyl)benzoate Traditional Name: 4-(mesylmethyl)benzoic acid (5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl ester Formula: C18H17ClO6S MolecularWeight: 396.84198

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)CC1=CC=C(C=C1)C(=O)OCC2=CC3=C(C(=C2)Cl)OCCO3

Isomeric SMILES

CS(=O)(=O)CC1=CC=C(C=C1)C(=O)OCC2=CC3=C(C(=C2)Cl)OCCO3

InChI

InChI=1S/C18H17ClO6S/c1-26(21,22)11-12-2-4-14(5-3-12)18(20)25-10-13-8-15(19)17-16(9-13)23-6-7-24-17/h2-5,8-9H,6-7,10-11H2,1H3