methyl (2R,4R,5S)-2-tert-butyl-4-(hydroxymethyl)-6-methyl-5-oxidanyl-heptanoate

Systemtic Name: methyl (2R,4R,5S)-2-tert-butyl-4-(hydroxymethyl)-6-methyl-5-oxidanyl-heptanoate Openeye Name: methyl (2R,4R,5S)-2-tert-butyl-5-hydroxy-4-(hydroxymethyl)-6-methyl-heptanoate CAS Name: (2R,4R,5S)-2-tert-butyl-5-hydroxy-4-(hydroxymethyl)-6-methylheptanoic acid methyl ester IUPAC Name: methyl (2R,4R,5S)-2-tert-butyl-5-hydroxy-4-(hydroxymethyl)-6-methylheptanoate Traditional Name: (2R,4R,5S)-2-tert-butyl-5-hydroxy-6-methyl-4-methylol-enanthic acid methyl ester Formula: C14H28O4 MolecularWeight: 260.36972

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(CC(C(=O)OC)C(C)(C)C)CO)O

Isomeric SMILES

CC(C)[C@@H]([C@H](C[C@@H](C(=O)OC)C(C)(C)C)CO)O

InChI

InChI=1S/C14H28O4/c1-9(2)12(16)10(8-15)7-11(13(17)18-6)14(3,4)5/h9-12,15-16H,7-8H2,1-6H3/t10-,11+,12+/m1/s1