methyl (4R,5S)-4-methyl-3-oxidanyl-5-phenylmethoxy-octanoate

Systemtic Name: methyl (4R,5S)-4-methyl-3-oxidanyl-5-phenylmethoxy-octanoate Openeye Name: methyl (4R,5S)-5-benzyloxy-3-hydroxy-4-methyl-octanoate CAS Name: (4R,5S)-3-hydroxy-4-methyl-5-phenylmethoxyoctanoic acid methyl ester IUPAC Name: methyl (4R,5S)-3-hydroxy-4-methyl-5-phenylmethoxyoctanoate Traditional Name: (4R,5S)-5-benzoxy-3-hydroxy-4-methyl-caprylic acid methyl ester Formula: C17H26O4 MolecularWeight: 294.38594

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(C)C(CC(=O)OC)O)OCC1=CC=CC=C1

Isomeric SMILES

CCC[C@@H]([C@H](C)C(CC(=O)OC)O)OCC1=CC=CC=C1

InChI

InChI=1S/C17H26O4/c1-4-8-16(13(2)15(18)11-17(19)20-3)21-12-14-9-6-5-7-10-14/h5-7,9-10,13,15-16,18H,4,8,11-12H2,1-3H3/t13-,15?,16+/m1/s1