7-(2-chloranyl-4-methylsulfanyl-phenyl)-7-oxidanylidene-heptanoic acid

Systemtic Name: 7-(2-chloranyl-4-methylsulfanyl-phenyl)-7-oxidanylidene-heptanoic acid Openeye Name: 7-(2-chloro-4-methylsulfanyl-phenyl)-7-oxo-heptanoic acid CAS Name: 7-[2-chloro-4-(methylthio)phenyl]-7-oxoheptanoic acid IUPAC Name: 7-(2-chloro-4-methylsulfanylphenyl)-7-oxoheptanoic acid Traditional Name: 7-[2-chloro-4-(methylthio)phenyl]-7-keto-enanthic acid Formula: C14H17ClO3S MolecularWeight: 300.80098

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H17ClO3S/c1-19-10-7-8-11(12(15)9-10)13(16)5-3-2-4-6-14(17)18/h7-9H,2-6H2,1H3,(H,17,18)