2,5-bis(chloranyl)-3-hexylsulfonyl-benzoic acid

Systemtic Name: 2,5-bis(chloranyl)-3-hexylsulfonyl-benzoic acid Openeye Name: 2,5-dichloro-3-hexylsulfonyl-benzoic acid CAS Name: 2,5-dichloro-3-hexylsulfonylbenzoic acid IUPAC Name: 2,5-dichloro-3-hexylsulfonylbenzoic acid Traditional Name: 2,5-dichloro-3-hexylsulfonyl-benzoic acid Formula: C13H16Cl2O4S MolecularWeight: 339.23474

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCS(=O)(=O)C1=C(C(=CC(=C1)Cl)C(=O)O)Cl

Isomeric SMILES

CCCCCCS(=O)(=O)C1=C(C(=CC(=C1)Cl)C(=O)O)Cl

InChI

InChI=1S/C13H16Cl2O4S/c1-2-3-4-5-6-20(18,19)11-8-9(14)7-10(12(11)15)13(16)17/h7-8H,2-6H2,1H3,(H,16,17)