6,7-dihydro-5H-1,4-dithiepin-6-yl benzoate

Systemtic Name: 6,7-dihydro-5H-1,4-dithiepin-6-yl benzoate Openeye Name: 6,7-dihydro-5H-1,4-dithiepin-6-yl benzoate CAS Name: benzoic acid 6,7-dihydro-5H-1,4-dithiepin-6-yl ester IUPAC Name: 6,7-dihydro-5H-1,4-dithiepin-6-yl benzoate Traditional Name: benzoic acid 6,7-dihydro-5H-1,4-dithiepin-6-yl ester Formula: C12H12O2S2 MolecularWeight: 252.35248

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CSC=CS1)OC(=O)C2=CC=CC=C2

Isomeric SMILES

C1C(CSC=CS1)OC(=O)C2=CC=CC=C2

InChI

InChI=1S/C12H12O2S2/c13-12(10-4-2-1-3-5-10)14-11-8-15-6-7-16-9-11/h1-7,11H,8-9H2