(4S,5S)-4-methyl-5-oxidanyl-tridecan-3-one

Systemtic Name: (4S,5S)-4-methyl-5-oxidanyl-tridecan-3-one Openeye Name: (4S,5S)-5-hydroxy-4-methyl-tridecan-3-one CAS Name: (4S,5S)-5-hydroxy-4-methyl-3-tridecanone IUPAC Name: (4S,5S)-5-hydroxy-4-methyltridecan-3-one Traditional Name: (4S,5S)-5-hydroxy-4-methyl-tridecan-3-one Formula: C14H28O2 MolecularWeight: 228.37092

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCCCCCC[C@@H]([C@H](C)C(=O)CC)O

InChI

InChI=1S/C14H28O2/c1-4-6-7-8-9-10-11-14(16)12(3)13(15)5-2/h12,14,16H,4-11H2,1-3H3/t12-,14+/m1/s1