(2,2-dimethyl-1,3-dithiolan-4-yl)methyl benzoate

Systemtic Name: (2,2-dimethyl-1,3-dithiolan-4-yl)methyl benzoate Openeye Name: (2,2-dimethyl-1,3-dithiolan-4-yl)methyl benzoate CAS Name: benzoic acid (2,2-dimethyl-1,3-dithiolan-4-yl)methyl ester IUPAC Name: (2,2-dimethyl-1,3-dithiolan-4-yl)methyl benzoate Traditional Name: benzoic acid (2,2-dimethyl-1,3-dithiolan-4-yl)methyl ester Formula: C13H16O2S2 MolecularWeight: 268.39494

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Descriptors Computed from Structure

Canonical SMILES:

CC1(SCC(S1)COC(=O)C2=CC=CC=C2)C

Isomeric SMILES

CC1(SCC(S1)COC(=O)C2=CC=CC=C2)C

InChI

InChI=1S/C13H16O2S2/c1-13(2)16-9-11(17-13)8-15-12(14)10-6-4-3-5-7-10/h3-7,11H,8-9H2,1-2H3