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

Systemtic Name: [2-(1,3-benzodioxol-5-yl)-2-oxidanylidene-ethyl] 3-(methylsulfonylmethyl)benzoate Openeye Name: [2-(1,3-benzodioxol-5-yl)-2-oxo-ethyl] 3-(methylsulfonylmethyl)benzoate CAS Name: 3-(methylsulfonylmethyl)benzoic acid [2-(1,3-benzodioxol-5-yl)-2-oxoethyl] ester IUPAC Name: [2-(1,3-benzodioxol-5-yl)-2-oxoethyl] 3-(methylsulfonylmethyl)benzoate Traditional Name: 3-(mesylmethyl)benzoic acid [2-(1,3-benzodioxol-5-yl)-2-keto-ethyl] ester Formula: C18H16O7S MolecularWeight: 376.38044

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)CC1=CC=CC(=C1)C(=O)OCC(=O)C2=CC3=C(C=C2)OCO3

Isomeric SMILES

CS(=O)(=O)CC1=CC=CC(=C1)C(=O)OCC(=O)C2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C18H16O7S/c1-26(21,22)10-12-3-2-4-14(7-12)18(20)23-9-15(19)13-5-6-16-17(8-13)25-11-24-16/h2-8H,9-11H2,1H3