2-[6-(3-chlorophenyl)hexylsulfanylmethyl]-2-oxidanyl-butanedioic acid

Systemtic Name: 2-[6-(3-chlorophenyl)hexylsulfanylmethyl]-2-oxidanyl-butanedioic acid Openeye Name: 2-[6-(3-chlorophenyl)hexylsulfanylmethyl]-2-hydroxy-butanedioic acid CAS Name: 2-[[6-(3-chlorophenyl)hexylthio]methyl]-2-hydroxybutanedioic acid IUPAC Name: 2-[6-(3-chlorophenyl)hexylsulfanylmethyl]-2-hydroxybutanedioic acid Traditional Name: 2-[[6-(3-chlorophenyl)hexylthio]methyl]-2-hydroxy-succinic acid Formula: C17H23ClO5S MolecularWeight: 374.87952

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H23ClO5S/c18-14-8-5-7-13(10-14)6-3-1-2-4-9-24-12-17(23,16(21)22)11-15(19)20/h5,7-8,10,23H,1-4,6,9,11-12H2,(H,19,20)(H,21,22)