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

Systemtic Name: [2-(1,3-benzodioxol-5-yl)-2-oxidanylidene-ethyl] 2-methylsulfonylbenzoate Openeye Name: [2-(1,3-benzodioxol-5-yl)-2-oxo-ethyl] 2-methylsulfonylbenzoate CAS Name: 2-methylsulfonylbenzoic acid [2-(1,3-benzodioxol-5-yl)-2-oxoethyl] ester IUPAC Name: [2-(1,3-benzodioxol-5-yl)-2-oxoethyl] 2-methylsulfonylbenzoate Traditional Name: 2-mesylbenzoic acid [2-(1,3-benzodioxol-5-yl)-2-keto-ethyl] ester Formula: C17H14O7S MolecularWeight: 362.35386

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=CC=C1C(=O)OCC(=O)C2=CC3=C(C=C2)OCO3

Isomeric SMILES

CS(=O)(=O)C1=CC=CC=C1C(=O)OCC(=O)C2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C17H14O7S/c1-25(20,21)16-5-3-2-4-12(16)17(19)22-9-13(18)11-6-7-14-15(8-11)24-10-23-14/h2-8H,9-10H2,1H3