2-[6-(2,4-dichlorophenyl)hexylsulfanylmethyl]butanedioic acid

Systemtic Name: 2-[6-(2,4-dichlorophenyl)hexylsulfanylmethyl]butanedioic acid Openeye Name: 2-[6-(2,4-dichlorophenyl)hexylsulfanylmethyl]butanedioic acid CAS Name: 2-[[6-(2,4-dichlorophenyl)hexylthio]methyl]butanedioic acid IUPAC Name: 2-[6-(2,4-dichlorophenyl)hexylsulfanylmethyl]butanedioic acid Traditional Name: 2-[[6-(2,4-dichlorophenyl)hexylthio]methyl]succinic acid Formula: C17H22Cl2O4S MolecularWeight: 393.32518

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H22Cl2O4S/c18-14-7-6-12(15(19)10-14)5-3-1-2-4-8-24-11-13(17(22)23)9-16(20)21/h6-7,10,13H,1-5,8-9,11H2,(H,20,21)(H,22,23)