2-octyl-2-sulfanyl-butanedioic acid

Systemtic Name: 2-octyl-2-sulfanyl-butanedioic acid Openeye Name: 2-octyl-2-sulfanyl-butanedioic acid CAS Name: 2-mercapto-2-octylbutanedioic acid IUPAC Name: 2-octyl-2-sulfanylbutanedioic acid Traditional Name: 2-mercapto-2-octyl-succinic acid Formula: C12H22O4S MolecularWeight: 262.36568

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC(CC(=O)O)(C(=O)O)S

Isomeric SMILES

CCCCCCCCC(CC(=O)O)(C(=O)O)S

InChI

InChI=1S/C12H22O4S/c1-2-3-4-5-6-7-8-12(17,11(15)16)9-10(13)14/h17H,2-9H2,1H3,(H,13,14)(H,15,16)