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

Systemtic Name: (5-chloranyl-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 3-methylsulfonylbenzoate Openeye Name: (5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 3-methylsulfonylbenzoate CAS Name: 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 3-methylsulfonylbenzoate Traditional Name: 3-mesylbenzoic acid (5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl ester Formula: C17H15ClO6S MolecularWeight: 382.8154

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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