5,5-bis(chloranyl)-5-(4-methylphenyl)sulfinyl-3-oxidanyl-pentanoic acid

Systemtic Name: 5,5-bis(chloranyl)-5-(4-methylphenyl)sulfinyl-3-oxidanyl-pentanoic acid Openeye Name: 5,5-dichloro-3-hydroxy-5-(p-tolylsulfinyl)pentanoic acid CAS Name: 5,5-dichloro-3-hydroxy-5-(4-methylphenyl)sulfinylpentanoic acid IUPAC Name: 5,5-dichloro-3-hydroxy-5-(4-methylphenyl)sulfinylpentanoic acid Traditional Name: 5,5-dichloro-3-hydroxy-5-(p-tolylsulfinyl)valeric acid Formula: C12H14Cl2O4S MolecularWeight: 325.20816

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)C(CC(CC(=O)O)O)(Cl)Cl

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)C(CC(CC(=O)O)O)(Cl)Cl

InChI

InChI=1S/C12H14Cl2O4S/c1-8-2-4-10(5-3-8)19(18)12(13,14)7-9(15)6-11(16)17/h2-5,9,15H,6-7H2,1H3,(H,16,17)