5-chloranyl-2-(3-methyl-2-oxidanylidene-butyl)sulfanyl-benzoic acid

Systemtic Name: 5-chloranyl-2-(3-methyl-2-oxidanylidene-butyl)sulfanyl-benzoic acid Openeye Name: 5-chloro-2-(3-methyl-2-oxo-butyl)sulfanyl-benzoic acid CAS Name: 5-chloro-2-[(3-methyl-2-oxobutyl)thio]benzoic acid IUPAC Name: 5-chloro-2-(3-methyl-2-oxobutyl)sulfanylbenzoic acid Traditional Name: 5-chloro-2-[(2-keto-3-methyl-butyl)thio]benzoic acid Formula: C12H13ClO3S MolecularWeight: 272.74782

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13ClO3S/c1-7(2)10(14)6-17-11-4-3-8(13)5-9(11)12(15)16/h3-5,7H,6H2,1-2H3,(H,15,16)