2-[[2-oxidanylidene-5-[2-(phenylcarbonyloxy)ethylsulfanyl]-1,3-dithiol-4-yl]sulfanyl]ethyl benzoate

Systemtic Name: 2-[[2-oxidanylidene-5-[2-(phenylcarbonyloxy)ethylsulfanyl]-1,3-dithiol-4-yl]sulfanyl]ethyl benzoate Openeye Name: 2-[[5-(2-benzoyloxyethylsulfanyl)-2-oxo-1,3-dithiol-4-yl]sulfanyl]ethyl benzoate CAS Name: benzoic acid 2-[[5-(2-benzoyloxyethylthio)-2-oxo-1,3-dithiol-4-yl]thio]ethyl ester IUPAC Name: 2-[[5-(2-benzoyloxyethylsulfanyl)-2-oxo-1,3-dithiol-4-yl]sulfanyl]ethyl benzoate Traditional Name: benzoic acid 2-[[5-(2-benzoyloxyethylthio)-2-keto-1,3-dithiol-4-yl]thio]ethyl ester Formula: C21H18O5S4 MolecularWeight: 478.62462

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)OCCSC2=C(SC(=O)S2)SCCOC(=O)C3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)C(=O)OCCSC2=C(SC(=O)S2)SCCOC(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H18O5S4/c22-17(15-7-3-1-4-8-15)25-11-13-27-19-20(30-21(24)29-19)28-14-12-26-18(23)16-9-5-2-6-10-16/h1-10H,11-14H2