2-[6-(4-bromophenyl)hexylsulfanylmethyl]-2-oxidanyl-butanedioic acid

Systemtic Name: 2-[6-(4-bromophenyl)hexylsulfanylmethyl]-2-oxidanyl-butanedioic acid Openeye Name: 2-[6-(4-bromophenyl)hexylsulfanylmethyl]-2-hydroxy-butanedioic acid CAS Name: 2-[[6-(4-bromophenyl)hexylthio]methyl]-2-hydroxybutanedioic acid IUPAC Name: 2-[6-(4-bromophenyl)hexylsulfanylmethyl]-2-hydroxybutanedioic acid Traditional Name: 2-[[6-(4-bromophenyl)hexylthio]methyl]-2-hydroxy-succinic acid Formula: C17H23BrO5S MolecularWeight: 419.33052

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CCCCCCSCC(CC(=O)O)(C(=O)O)O)Br

Isomeric SMILES

C1=CC(=CC=C1CCCCCCSCC(CC(=O)O)(C(=O)O)O)Br

InChI

InChI=1S/C17H23BrO5S/c18-14-8-6-13(7-9-14)5-3-1-2-4-10-24-12-17(23,16(21)22)11-15(19)20/h6-9,23H,1-5,10-12H2,(H,19,20)(H,21,22)