S-[3-chloranyl-2,4-bis(oxidanylidene)pentan-3-yl]sulfanyl benzenecarbothioate

Systemtic Name: S-[3-chloranyl-2,4-bis(oxidanylidene)pentan-3-yl]sulfanyl benzenecarbothioate Openeye Name: S-(1-acetyl-1-chloro-2-oxo-propyl)sulfanyl benzenecarbothioate CAS Name: benzenecarbothioic acid S-[(3-chloro-2,4-dioxopentan-3-yl)thio] ester IUPAC Name: S-(3-chloro-2,4-dioxopentan-3-yl)sulfanyl benzenecarbothioate Traditional Name: thiobenzoic acid S-[(1-acetyl-1-chloro-2-keto-propyl)thio] ester Formula: C12H11ClO3S2 MolecularWeight: 302.79694

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H11ClO3S2/c1-8(14)12(13,9(2)15)18-17-11(16)10-6-4-3-5-7-10/h3-7H,1-2H3