2-[2,5-bis(chloranyl)phenyl]sulfonyloctanoic acid

Systemtic Name: 2-[2,5-bis(chloranyl)phenyl]sulfonyloctanoic acid Openeye Name: 2-(2,5-dichlorophenyl)sulfonyloctanoic acid CAS Name: 2-(2,5-dichlorophenyl)sulfonyloctanoic acid IUPAC Name: 2-(2,5-dichlorophenyl)sulfonyloctanoic acid Traditional Name: 2-(2,5-dichlorophenyl)sulfonylcaprylic acid Formula: C14H18Cl2O4S MolecularWeight: 353.26132

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18Cl2O4S/c1-2-3-4-5-6-12(14(17)18)21(19,20)13-9-10(15)7-8-11(13)16/h7-9,12H,2-6H2,1H3,(H,17,18)