(3R)-3-[(2R,3S)-6-methyl-6-oxidanyl-2-sulfanyl-hept-4-yn-3-yl]oxybutanoic acid

Systemtic Name: (3R)-3-[(2R,3S)-6-methyl-6-oxidanyl-2-sulfanyl-hept-4-yn-3-yl]oxybutanoic acid Openeye Name: (3R)-3-[(1S)-4-hydroxy-4-methyl-1-[(1R)-1-sulfanylethyl]pent-2-ynoxy]butanoic acid CAS Name: (3R)-3-[(2R,3S)-6-hydroxy-2-mercapto-6-methylhept-4-yn-3-yl]oxybutanoic acid IUPAC Name: (3R)-3-[(2R,3S)-6-hydroxy-6-methyl-2-sulfanylhept-4-yn-3-yl]oxybutanoic acid Traditional Name: (3R)-3-[(1S)-4-hydroxy-1-[(1R)-1-mercaptoethyl]-4-methyl-pent-2-ynoxy]butyric acid Formula: C12H20O4S MolecularWeight: 260.3498

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H20O4S/c1-8(7-11(13)14)16-10(9(2)17)5-6-12(3,4)15/h8-10,15,17H,7H2,1-4H3,(H,13,14)/t8-,9-,10+/m1/s1