4-chloranyl-2-(1-oxidanyl-1-oxidanylidene-butan-2-yl)sulfanyl-benzoic acid

Systemtic Name: 4-chloranyl-2-(1-oxidanyl-1-oxidanylidene-butan-2-yl)sulfanyl-benzoic acid Openeye Name: 2-(1-carboxypropylsulfanyl)-4-chloro-benzoic acid CAS Name: 4-chloro-2-[(1-hydroxy-1-oxobutan-2-yl)thio]benzoic acid IUPAC Name: 4-chloro-2-(1-hydroxy-1-oxobutan-2-yl)sulfanylbenzoic acid Traditional Name: 2-(1-carboxypropylthio)-4-chloro-benzoic acid Formula: C11H11ClO4S MolecularWeight: 274.72064

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)O)SC1=C(C=CC(=C1)Cl)C(=O)O

Isomeric SMILES

CCC(C(=O)O)SC1=C(C=CC(=C1)Cl)C(=O)O

InChI

InChI=1S/C11H11ClO4S/c1-2-8(11(15)16)17-9-5-6(12)3-4-7(9)10(13)14/h3-5,8H,2H2,1H3,(H,13,14)(H,15,16)