(7-chloranyl-1,3-benzodioxol-5-yl)methyl 4-methylsulfonylbenzoate

Systemtic Name: (7-chloranyl-1,3-benzodioxol-5-yl)methyl 4-methylsulfonylbenzoate Openeye Name: (7-chloro-1,3-benzodioxol-5-yl)methyl 4-methylsulfonylbenzoate CAS Name: 4-methylsulfonylbenzoic acid (7-chloro-1,3-benzodioxol-5-yl)methyl ester IUPAC Name: (7-chloro-1,3-benzodioxol-5-yl)methyl 4-methylsulfonylbenzoate Traditional Name: 4-mesylbenzoic acid (7-chloro-1,3-benzodioxol-5-yl)methyl ester Formula: C16H13ClO6S MolecularWeight: 368.78882

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)C(=O)OCC2=CC3=C(C(=C2)Cl)OCO3

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)C(=O)OCC2=CC3=C(C(=C2)Cl)OCO3

InChI

InChI=1S/C16H13ClO6S/c1-24(19,20)12-4-2-11(3-5-12)16(18)21-8-10-6-13(17)15-14(7-10)22-9-23-15/h2-7H,8-9H2,1H3