2-[[(E)-6-(2,4-dichlorophenyl)hex-5-enyl]sulfanylmethyl]-2-oxidanyl-butanedioic acid

Systemtic Name: 2-[[(E)-6-(2,4-dichlorophenyl)hex-5-enyl]sulfanylmethyl]-2-oxidanyl-butanedioic acid Openeye Name: 2-[[(E)-6-(2,4-dichlorophenyl)hex-5-enyl]sulfanylmethyl]-2-hydroxy-butanedioic acid CAS Name: 2-[[[(E)-6-(2,4-dichlorophenyl)hex-5-enyl]thio]methyl]-2-hydroxybutanedioic acid IUPAC Name: 2-[[(E)-6-(2,4-dichlorophenyl)hex-5-enyl]sulfanylmethyl]-2-hydroxybutanedioic acid Traditional Name: 2-[[[(E)-6-(2,4-dichlorophenyl)hex-5-enyl]thio]methyl]-2-hydroxy-succinic acid Formula: C17H20Cl2O5S MolecularWeight: 407.3087

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C1=CC(=C(C=C1Cl)Cl)/C=C/CCCCSCC(CC(=O)O)(C(=O)O)O

InChI

InChI=1S/C17H20Cl2O5S/c18-13-7-6-12(14(19)9-13)5-3-1-2-4-8-25-11-17(24,16(22)23)10-15(20)21/h3,5-7,9,24H,1-2,4,8,10-11H2,(H,20,21)(H,22,23)/b5-3+