2-octylsulfanylbutanedioic acid

Systemtic Name: 2-octylsulfanylbutanedioic acid Openeye Name: 2-octylsulfanylbutanedioic acid CAS Name: 2-(octylthio)butanedioic acid IUPAC Name: 2-octylsulfanylbutanedioic acid Traditional Name: 2-(octylthio)succinic acid Formula: C12H22O4S MolecularWeight: 262.36568

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H22O4S/c1-2-3-4-5-6-7-8-17-10(12(15)16)9-11(13)14/h10H,2-9H2,1H3,(H,13,14)(H,15,16)