2-[6-[2,6-bis(chloranyl)phenyl]hexylsulfanylmethyl]-2-oxidanyl-butanedioic acid

Systemtic Name: 2-[6-[2,6-bis(chloranyl)phenyl]hexylsulfanylmethyl]-2-oxidanyl-butanedioic acid Openeye Name: 2-[6-(2,6-dichlorophenyl)hexylsulfanylmethyl]-2-hydroxy-butanedioic acid CAS Name: 2-[[6-(2,6-dichlorophenyl)hexylthio]methyl]-2-hydroxybutanedioic acid IUPAC Name: 2-[6-(2,6-dichlorophenyl)hexylsulfanylmethyl]-2-hydroxybutanedioic acid Traditional Name: 2-[[6-(2,6-dichlorophenyl)hexylthio]methyl]-2-hydroxy-succinic acid Formula: C17H22Cl2O5S MolecularWeight: 409.32458

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H22Cl2O5S/c18-13-7-5-8-14(19)12(13)6-3-1-2-4-9-25-11-17(24,16(22)23)10-15(20)21/h5,7-8,24H,1-4,6,9-11H2,(H,20,21)(H,22,23)