[2-oxidanylidene-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl] 3-(methylsulfonylmethyl)benzoate

Systemtic Name: [2-oxidanylidene-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl] 3-(methylsulfonylmethyl)benzoate Openeye Name: (2-oxo-2-tetralin-6-yl-ethyl) 3-(methylsulfonylmethyl)benzoate CAS Name: 3-(methylsulfonylmethyl)benzoic acid [2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl] ester IUPAC Name: [2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl] 3-(methylsulfonylmethyl)benzoate Traditional Name: 3-(mesylmethyl)benzoic acid (2-keto-2-tetralin-6-yl-ethyl) ester Formula: C21H22O5S MolecularWeight: 386.46138

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)CC1=CC=CC(=C1)C(=O)OCC(=O)C2=CC3=C(CCCC3)C=C2

Isomeric SMILES

CS(=O)(=O)CC1=CC=CC(=C1)C(=O)OCC(=O)C2=CC3=C(CCCC3)C=C2

InChI

InChI=1S/C21H22O5S/c1-27(24,25)14-15-5-4-8-19(11-15)21(23)26-13-20(22)18-10-9-16-6-2-3-7-17(16)12-18/h4-5,8-12H,2-3,6-7,13-14H2,1H3