2-(2-ethylhexylsulfanyl)-2-oxidanyl-butanedioic acid

Systemtic Name: 2-(2-ethylhexylsulfanyl)-2-oxidanyl-butanedioic acid Openeye Name: 2-(2-ethylhexylsulfanyl)-2-hydroxy-butanedioic acid CAS Name: 2-(2-ethylhexylthio)-2-hydroxybutanedioic acid IUPAC Name: 2-(2-ethylhexylsulfanyl)-2-hydroxybutanedioic acid Traditional Name: 2-(2-ethylhexylthio)-2-hydroxy-succinic acid Formula: C12H22O5S MolecularWeight: 278.36508

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)CSC(CC(=O)O)(C(=O)O)O

Isomeric SMILES

CCCCC(CC)CSC(CC(=O)O)(C(=O)O)O

InChI

InChI=1S/C12H22O5S/c1-3-5-6-9(4-2)8-18-12(17,11(15)16)7-10(13)14/h9,17H,3-8H2,1-2H3,(H,13,14)(H,15,16)