methyl 2-(1,3-dithian-2-yl)benzoate

Systemtic Name: methyl 2-(1,3-dithian-2-yl)benzoate Openeye Name: methyl 2-(1,3-dithian-2-yl)benzoate CAS Name: 2-(1,3-dithian-2-yl)benzoic acid methyl ester IUPAC Name: methyl 2-(1,3-dithian-2-yl)benzoate Traditional Name: 2-(1,3-dithian-2-yl)benzoic acid methyl ester Formula: C12H14O2S2 MolecularWeight: 254.36836

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1C2SCCCS2

Isomeric SMILES

COC(=O)C1=CC=CC=C1C2SCCCS2

InChI

InChI=1S/C12H14O2S2/c1-14-11(13)9-5-2-3-6-10(9)12-15-7-4-8-16-12/h2-3,5-6,12H,4,7-8H2,1H3