(phenylmethyl) 1,3-dithiane-2-carboxylate

Systemtic Name: (phenylmethyl) 1,3-dithiane-2-carboxylate Openeye Name: benzyl 1,3-dithiane-2-carboxylate CAS Name: 1,3-dithiane-2-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 1,3-dithiane-2-carboxylate Traditional Name: 1,3-dithiane-2-carboxylic acid benzyl ester Formula: C12H14O2S2 MolecularWeight: 254.36836

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC(SC1)C(=O)OCC2=CC=CC=C2

Isomeric SMILES

C1CSC(SC1)C(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C12H14O2S2/c13-11(12-15-7-4-8-16-12)14-9-10-5-2-1-3-6-10/h1-3,5-6,12H,4,7-9H2