(5S,6R)-2-methyl-5-[(3S)-3-oxidanylbutoxy]-6-sulfanyl-hept-3-yn-2-ol

Systemtic Name: (5S,6R)-2-methyl-5-[(3S)-3-oxidanylbutoxy]-6-sulfanyl-hept-3-yn-2-ol Openeye Name: (5S,6R)-5-[(3S)-3-hydroxybutoxy]-2-methyl-6-sulfanyl-hept-3-yn-2-ol CAS Name: (5S,6R)-5-[(3S)-3-hydroxybutoxy]-6-mercapto-2-methyl-3-heptyn-2-ol IUPAC Name: (5S,6R)-5-[(3S)-3-hydroxybutoxy]-2-methyl-6-sulfanylhept-3-yn-2-ol Traditional Name: (5S,6R)-5-[(3S)-3-hydroxybutoxy]-6-mercapto-2-methyl-hept-3-yn-2-ol Formula: C12H22O3S MolecularWeight: 246.36628

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCOC(C#CC(C)(C)O)C(C)S)O

Isomeric SMILES

C[C@@H](CCO[C@@H](C#CC(C)(C)O)[C@@H](C)S)O

InChI

InChI=1S/C12H22O3S/c1-9(13)6-8-15-11(10(2)16)5-7-12(3,4)14/h9-11,13-14,16H,6,8H2,1-4H3/t9-,10+,11-/m0/s1