5-(2-chloranyl-4-methylsulfanyl-phenyl)-5-oxidanylidene-pentanoic acid

Systemtic Name: 5-(2-chloranyl-4-methylsulfanyl-phenyl)-5-oxidanylidene-pentanoic acid Openeye Name: 5-(2-chloro-4-methylsulfanyl-phenyl)-5-oxo-pentanoic acid CAS Name: 5-[2-chloro-4-(methylthio)phenyl]-5-oxopentanoic acid IUPAC Name: 5-(2-chloro-4-methylsulfanylphenyl)-5-oxopentanoic acid Traditional Name: 5-[2-chloro-4-(methylthio)phenyl]-5-keto-valeric acid Formula: C12H13ClO3S MolecularWeight: 272.74782

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13ClO3S/c1-17-8-5-6-9(10(13)7-8)11(14)3-2-4-12(15)16/h5-7H,2-4H2,1H3,(H,15,16)