2-octylsulfanyl-2-oxidanyl-butanedioic acid

Systemtic Name: 2-octylsulfanyl-2-oxidanyl-butanedioic acid Openeye Name: 2-hydroxy-2-octylsulfanyl-butanedioic acid CAS Name: 2-hydroxy-2-(octylthio)butanedioic acid IUPAC Name: 2-hydroxy-2-octylsulfanylbutanedioic acid Traditional Name: 2-hydroxy-2-(octylthio)succinic acid Formula: C12H22O5S MolecularWeight: 278.36508

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCSC(CC(=O)O)(C(=O)O)O

Isomeric SMILES

CCCCCCCCSC(CC(=O)O)(C(=O)O)O

InChI

InChI=1S/C12H22O5S/c1-2-3-4-5-6-7-8-18-12(17,11(15)16)9-10(13)14/h17H,2-9H2,1H3,(H,13,14)(H,15,16)