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

Systemtic Name: 6-(2,4-dichlorophenyl)-2,4-bis(oxidanyl)hexane-1-sulfonic acid Openeye Name: 6-(2,4-dichlorophenyl)-2,4-dihydroxy-hexane-1-sulfonic acid CAS Name: 6-(2,4-dichlorophenyl)-2,4-dihydroxy-1-hexanesulfonic acid IUPAC Name: 6-(2,4-dichlorophenyl)-2,4-dihydroxyhexane-1-sulfonic acid Traditional Name: 6-(2,4-dichlorophenyl)-2,4-dihydroxy-hexane-1-sulfonic acid Formula: C12H16Cl2O5S MolecularWeight: 343.22344

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H16Cl2O5S/c13-9-3-1-8(12(14)5-9)2-4-10(15)6-11(16)7-20(17,18)19/h1,3,5,10-11,15-16H,2,4,6-7H2,(H,17,18,19)