6-(2-chloranyl-4-methylsulfanyl-phenyl)-6-oxidanylidene-hexanoic acid

Systemtic Name: 6-(2-chloranyl-4-methylsulfanyl-phenyl)-6-oxidanylidene-hexanoic acid Openeye Name: 6-(2-chloro-4-methylsulfanyl-phenyl)-6-oxo-hexanoic acid CAS Name: 6-[2-chloro-4-(methylthio)phenyl]-6-oxohexanoic acid IUPAC Name: 6-(2-chloro-4-methylsulfanylphenyl)-6-oxohexanoic acid Traditional Name: 6-[2-chloro-4-(methylthio)phenyl]-6-keto-hexanoic acid Formula: C13H15ClO3S MolecularWeight: 286.7744

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15ClO3S/c1-18-9-6-7-10(11(14)8-9)12(15)4-2-3-5-13(16)17/h6-8H,2-5H2,1H3,(H,16,17)