(4-nitrophenyl)methyl (3S,4S)-4-methyl-3-oxidanyl-octanoate

Systemtic Name: (4-nitrophenyl)methyl (3S,4S)-4-methyl-3-oxidanyl-octanoate Openeye Name: (4-nitrophenyl)methyl (3S,4S)-3-hydroxy-4-methyl-octanoate CAS Name: (3S,4S)-3-hydroxy-4-methyloctanoic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl (3S,4S)-3-hydroxy-4-methyloctanoate Traditional Name: (3S,4S)-3-hydroxy-4-methyl-caprylic acid (4-nitrobenzyl) ester Formula: C16H23NO5 MolecularWeight: 309.35752

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C)C(CC(=O)OCC1=CC=C(C=C1)[N+](=O)[O-])O

Isomeric SMILES

CCCC[C@H](C)[C@H](CC(=O)OCC1=CC=C(C=C1)[N+](=O)[O-])O

InChI

InChI=1S/C16H23NO5/c1-3-4-5-12(2)15(18)10-16(19)22-11-13-6-8-14(9-7-13)17(20)21/h6-9,12,15,18H,3-5,10-11H2,1-2H3/t12-,15-/m0/s1