2-[7-(2,4-dichlorophenyl)heptylsulfanylmethyl]-2-oxidanyl-butanedioic acid

Systemtic Name: 2-[7-(2,4-dichlorophenyl)heptylsulfanylmethyl]-2-oxidanyl-butanedioic acid Openeye Name: 2-[7-(2,4-dichlorophenyl)heptylsulfanylmethyl]-2-hydroxy-butanedioic acid CAS Name: 2-[[7-(2,4-dichlorophenyl)heptylthio]methyl]-2-hydroxybutanedioic acid IUPAC Name: 2-[7-(2,4-dichlorophenyl)heptylsulfanylmethyl]-2-hydroxybutanedioic acid Traditional Name: 2-[[7-(2,4-dichlorophenyl)heptylthio]methyl]-2-hydroxy-succinic acid Formula: C18H24Cl2O5S MolecularWeight: 423.35116

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H24Cl2O5S/c19-14-8-7-13(15(20)10-14)6-4-2-1-3-5-9-26-12-18(25,17(23)24)11-16(21)22/h7-8,10,25H,1-6,9,11-12H2,(H,21,22)(H,23,24)