3-chloranyl-5-(2-oxidanylidenepropylsulfanyl)benzoic acid

Systemtic Name: 3-chloranyl-5-(2-oxidanylidenepropylsulfanyl)benzoic acid Openeye Name: 3-acetonylsulfanyl-5-chloro-benzoic acid CAS Name: 3-chloro-5-(2-oxopropylthio)benzoic acid IUPAC Name: 3-chloro-5-(2-oxopropylsulfanyl)benzoic acid Traditional Name: 3-(acetonylthio)-5-chloro-benzoic acid Formula: C10H9ClO3S MolecularWeight: 244.69466

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CSC1=CC(=CC(=C1)C(=O)O)Cl

Isomeric SMILES

CC(=O)CSC1=CC(=CC(=C1)C(=O)O)Cl

InChI

InChI=1S/C10H9ClO3S/c1-6(12)5-15-9-3-7(10(13)14)2-8(11)4-9/h2-4H,5H2,1H3,(H,13,14)