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

Systemtic Name: (5-chloranyl-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 2-methylsulfonylbenzoate Openeye Name: (5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 2-methylsulfonylbenzoate CAS Name: 2-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 2-methylsulfonylbenzoate Traditional Name: 2-mesylbenzoic acid (5-chloro-2,3-dihydro-1,4-benzodioxin-7-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=CC=C1C(=O)OCC2=CC3=C(C(=C2)Cl)OCCO3

Isomeric SMILES

CS(=O)(=O)C1=CC=CC=C1C(=O)OCC2=CC3=C(C(=C2)Cl)OCCO3

InChI

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