[2-(1,3-benzodioxol-5-yl)-2-oxidanylidene-ethyl] 2-chloranyl-5-methylsulfonyl-benzoate

Systemtic Name: [2-(1,3-benzodioxol-5-yl)-2-oxidanylidene-ethyl] 2-chloranyl-5-methylsulfonyl-benzoate Openeye Name: [2-(1,3-benzodioxol-5-yl)-2-oxo-ethyl] 2-chloro-5-methylsulfonyl-benzoate CAS Name: 2-chloro-5-methylsulfonylbenzoic acid [2-(1,3-benzodioxol-5-yl)-2-oxoethyl] ester IUPAC Name: [2-(1,3-benzodioxol-5-yl)-2-oxoethyl] 2-chloro-5-methylsulfonylbenzoate Traditional Name: 2-chloro-5-mesyl-benzoic acid [2-(1,3-benzodioxol-5-yl)-2-keto-ethyl] ester Formula: C17H13ClO7S MolecularWeight: 396.79892

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H13ClO7S/c1-26(21,22)11-3-4-13(18)12(7-11)17(20)23-8-14(19)10-2-5-15-16(6-10)25-9-24-15/h2-7H,8-9H2,1H3