8-(2-chloranyl-4-methylsulfanyl-phenyl)-8-oxidanylidene-octanoic acid

Systemtic Name: 8-(2-chloranyl-4-methylsulfanyl-phenyl)-8-oxidanylidene-octanoic acid Openeye Name: 8-(2-chloro-4-methylsulfanyl-phenyl)-8-oxo-octanoic acid CAS Name: 8-[2-chloro-4-(methylthio)phenyl]-8-oxooctanoic acid IUPAC Name: 8-(2-chloro-4-methylsulfanylphenyl)-8-oxooctanoic acid Traditional Name: 8-[2-chloro-4-(methylthio)phenyl]-8-keto-caprylic acid Formula: C15H19ClO3S MolecularWeight: 314.82756

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H19ClO3S/c1-20-11-8-9-12(13(16)10-11)14(17)6-4-2-3-5-7-15(18)19/h8-10H,2-7H2,1H3,(H,18,19)