(2-oxidanyl-1-sulfanyl-propyl) 7,7-dimethyloctanoate

Systemtic Name: (2-oxidanyl-1-sulfanyl-propyl) 7,7-dimethyloctanoate Openeye Name: (2-hydroxy-1-sulfanyl-propyl) 7,7-dimethyloctanoate CAS Name: 7,7-dimethyloctanoic acid (2-hydroxy-1-mercaptopropyl) ester IUPAC Name: (2-hydroxy-1-sulfanylpropyl) 7,7-dimethyloctanoate Traditional Name: 7,7-dimethylcaprylic acid (2-hydroxy-1-mercapto-propyl) ester Formula: C13H26O3S MolecularWeight: 262.40874

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(OC(=O)CCCCCC(C)(C)C)S)O

Isomeric SMILES

CC(C(OC(=O)CCCCCC(C)(C)C)S)O

InChI

InChI=1S/C13H26O3S/c1-10(14)12(17)16-11(15)8-6-5-7-9-13(2,3)4/h10,12,14,17H,5-9H2,1-4H3