S-[4-chloranyl-3,5-bis(oxidanylidene)heptan-4-yl]sulfanyl benzenecarbothioate

Systemtic Name: S-[4-chloranyl-3,5-bis(oxidanylidene)heptan-4-yl]sulfanyl benzenecarbothioate Openeye Name: S-(1-chloro-2-oxo-1-propanoyl-butyl)sulfanyl benzenecarbothioate CAS Name: benzenecarbothioic acid S-[(4-chloro-3,5-dioxoheptan-4-yl)thio] ester IUPAC Name: S-(4-chloro-3,5-dioxoheptan-4-yl)sulfanyl benzenecarbothioate Traditional Name: thiobenzoic acid S-[(1-chloro-2-keto-1-propionyl-butyl)thio] ester Formula: C14H15ClO3S2 MolecularWeight: 330.8501

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C(C(=O)CC)(SSC(=O)C1=CC=CC=C1)Cl

Isomeric SMILES

CCC(=O)C(C(=O)CC)(SSC(=O)C1=CC=CC=C1)Cl

InChI

InChI=1S/C14H15ClO3S2/c1-3-11(16)14(15,12(17)4-2)20-19-13(18)10-8-6-5-7-9-10/h5-9H,3-4H2,1-2H3