2-[[6-(2,4-dichlorophenyl)-6-oxidanylidene-hexyl]sulfanylmethyl]-2-oxidanyl-butanedioic acid

Systemtic Name: 2-[[6-(2,4-dichlorophenyl)-6-oxidanylidene-hexyl]sulfanylmethyl]-2-oxidanyl-butanedioic acid Openeye Name: 2-[[6-(2,4-dichlorophenyl)-6-oxo-hexyl]sulfanylmethyl]-2-hydroxy-butanedioic acid CAS Name: 2-[[[6-(2,4-dichlorophenyl)-6-oxohexyl]thio]methyl]-2-hydroxybutanedioic acid IUPAC Name: 2-[[6-(2,4-dichlorophenyl)-6-oxohexyl]sulfanylmethyl]-2-hydroxybutanedioic acid Traditional Name: 2-[[[6-(2,4-dichlorophenyl)-6-keto-hexyl]thio]methyl]-2-hydroxy-succinic acid Formula: C17H20Cl2O6S MolecularWeight: 423.3081

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1Cl)Cl)C(=O)CCCCCSCC(CC(=O)O)(C(=O)O)O

Isomeric SMILES

C1=CC(=C(C=C1Cl)Cl)C(=O)CCCCCSCC(CC(=O)O)(C(=O)O)O

InChI

InChI=1S/C17H20Cl2O6S/c18-11-5-6-12(13(19)8-11)14(20)4-2-1-3-7-26-10-17(25,16(23)24)9-15(21)22/h5-6,8,25H,1-4,7,9-10H2,(H,21,22)(H,23,24)