3,3-dimethyl-2-sulfanyl-dodecanoic acid

Systemtic Name: 3,3-dimethyl-2-sulfanyl-dodecanoic acid Openeye Name: 3,3-dimethyl-2-sulfanyl-dodecanoic acid CAS Name: 2-mercapto-3,3-dimethyldodecanoic acid IUPAC Name: 3,3-dimethyl-2-sulfanyldodecanoic acid Traditional Name: 2-mercapto-3,3-dimethyl-lauric acid Formula: C14H28O2S MolecularWeight: 260.43592

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC(C)(C)C(C(=O)O)S

Isomeric SMILES

CCCCCCCCCC(C)(C)C(C(=O)O)S

InChI

InChI=1S/C14H28O2S/c1-4-5-6-7-8-9-10-11-14(2,3)12(17)13(15)16/h12,17H,4-11H2,1-3H3,(H,15,16)