5,5-bis(chloranyl)-3-oxidanyl-5-(phenylsulfonyl)pentanoic acid

Systemtic Name: 5,5-bis(chloranyl)-3-oxidanyl-5-(phenylsulfonyl)pentanoic acid Openeye Name: 5-(benzenesulfonyl)-5,5-dichloro-3-hydroxy-pentanoic acid CAS Name: 5-(benzenesulfonyl)-5,5-dichloro-3-hydroxypentanoic acid IUPAC Name: 5-(benzenesulfonyl)-5,5-dichloro-3-hydroxypentanoic acid Traditional Name: 5-besyl-5,5-dichloro-3-hydroxy-valeric acid Formula: C11H12Cl2O5S MolecularWeight: 327.18098

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H12Cl2O5S/c12-11(13,7-8(14)6-10(15)16)19(17,18)9-4-2-1-3-5-9/h1-5,8,14H,6-7H2,(H,15,16)