2-[6-[3,5-bis(chloranyl)pyridin-4-yl]hexylsulfanylmethyl]-2-oxidanyl-butanedioic acid

Systemtic Name: 2-[6-[3,5-bis(chloranyl)pyridin-4-yl]hexylsulfanylmethyl]-2-oxidanyl-butanedioic acid Openeye Name: 2-[6-(3,5-dichloro-4-pyridyl)hexylsulfanylmethyl]-2-hydroxy-butanedioic acid CAS Name: 2-[[6-(3,5-dichloro-4-pyridinyl)hexylthio]methyl]-2-hydroxybutanedioic acid IUPAC Name: 2-[6-(3,5-dichloropyridin-4-yl)hexylsulfanylmethyl]-2-hydroxybutanedioic acid Traditional Name: 2-[[6-(3,5-dichloro-4-pyridyl)hexylthio]methyl]-2-hydroxy-succinic acid Formula: C16H21Cl2NO5S MolecularWeight: 410.31264

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C(=C(C=N1)Cl)CCCCCCSCC(CC(=O)O)(C(=O)O)O)Cl

Isomeric SMILES

C1=C(C(=C(C=N1)Cl)CCCCCCSCC(CC(=O)O)(C(=O)O)O)Cl

InChI

InChI=1S/C16H21Cl2NO5S/c17-12-8-19-9-13(18)11(12)5-3-1-2-4-6-25-10-16(24,15(22)23)7-14(20)21/h8-9,24H,1-7,10H2,(H,20,21)(H,22,23)