3-(1,3-dithiolan-2-yl)propyl benzoate

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC(S1)CCCOC(=O)C2=CC=CC=C2

Isomeric SMILES

C1CSC(S1)CCCOC(=O)C2=CC=CC=C2

InChI

InChI=1S/C13H16O2S2/c14-13(11-5-2-1-3-6-11)15-8-4-7-12-16-9-10-17-12/h1-3,5-6,12H,4,7-10H2