(3-phenyl-6,7-dihydro-5H-1,4-dithiepin-2-yl) ethanoate

Systemtic Name: (3-phenyl-6,7-dihydro-5H-1,4-dithiepin-2-yl) ethanoate Openeye Name: (3-phenyl-6,7-dihydro-5H-1,4-dithiepin-2-yl) acetate CAS Name: acetic acid (3-phenyl-6,7-dihydro-5H-1,4-dithiepin-2-yl) ester IUPAC Name: (3-phenyl-6,7-dihydro-5H-1,4-dithiepin-2-yl) acetate Traditional Name: acetic acid (3-phenyl-6,7-dihydro-5H-1,4-dithiepin-2-yl) ester Formula: C13H14O2S2 MolecularWeight: 266.37906

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=C(SCCCS1)C2=CC=CC=C2

Isomeric SMILES

CC(=O)OC1=C(SCCCS1)C2=CC=CC=C2

InChI

InChI=1S/C13H14O2S2/c1-10(14)15-13-12(16-8-5-9-17-13)11-6-3-2-4-7-11/h2-4,6-7H,5,8-9H2,1H3