6-(2,4-dichlorophenyl)-2,3,4-tris(oxidanyl)hexane-1-sulfonic acid

Systemtic Name: 6-(2,4-dichlorophenyl)-2,3,4-tris(oxidanyl)hexane-1-sulfonic acid Openeye Name: 6-(2,4-dichlorophenyl)-2,3,4-trihydroxy-hexane-1-sulfonic acid CAS Name: 6-(2,4-dichlorophenyl)-2,3,4-trihydroxy-1-hexanesulfonic acid IUPAC Name: 6-(2,4-dichlorophenyl)-2,3,4-trihydroxyhexane-1-sulfonic acid Traditional Name: 6-(2,4-dichlorophenyl)-2,3,4-trihydroxy-hexane-1-sulfonic acid Formula: C12H16Cl2O6S MolecularWeight: 359.22284

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1Cl)Cl)CCC(C(C(CS(=O)(=O)O)O)O)O

Isomeric SMILES

C1=CC(=C(C=C1Cl)Cl)CCC(C(C(CS(=O)(=O)O)O)O)O

InChI

InChI=1S/C12H16Cl2O6S/c13-8-3-1-7(9(14)5-8)2-4-10(15)12(17)11(16)6-21(18,19)20/h1,3,5,10-12,15-17H,2,4,6H2,(H,18,19,20)