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

Systemtic Name: 2,5-bis(chloranyl)-3-heptylsulfonyl-benzoic acid Openeye Name: 2,5-dichloro-3-heptylsulfonyl-benzoic acid CAS Name: 2,5-dichloro-3-heptylsulfonylbenzoic acid IUPAC Name: 2,5-dichloro-3-heptylsulfonylbenzoic acid Traditional Name: 2,5-dichloro-3-heptylsulfonyl-benzoic acid Formula: C14H18Cl2O4S MolecularWeight: 353.26132

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18Cl2O4S/c1-2-3-4-5-6-7-21(19,20)12-9-10(15)8-11(13(12)16)14(17)18/h8-9H,2-7H2,1H3,(H,17,18)