(2-phenyl-1,3-dithian-2-yl)methyl ethanoate

Systemtic Name: (2-phenyl-1,3-dithian-2-yl)methyl ethanoate Openeye Name: (2-phenyl-1,3-dithian-2-yl)methyl acetate CAS Name: acetic acid (2-phenyl-1,3-dithian-2-yl)methyl ester IUPAC Name: (2-phenyl-1,3-dithian-2-yl)methyl acetate Traditional Name: acetic acid (2-phenyl-1,3-dithian-2-yl)methyl ester Formula: C13H16O2S2 MolecularWeight: 268.39494

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC1(SCCCS1)C2=CC=CC=C2

Isomeric SMILES

CC(=O)OCC1(SCCCS1)C2=CC=CC=C2

InChI

InChI=1S/C13H16O2S2/c1-11(14)15-10-13(16-8-5-9-17-13)12-6-3-2-4-7-12/h2-4,6-7H,5,8-10H2,1H3