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

Systemtic Name: (4-nitrophenyl)methyl (3S,4S)-4-methyl-3-oxidanyl-decanoate Openeye Name: (4-nitrophenyl)methyl (3S,4S)-3-hydroxy-4-methyl-decanoate CAS Name: (3S,4S)-3-hydroxy-4-methyldecanoic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl (3S,4S)-3-hydroxy-4-methyldecanoate Traditional Name: (3S,4S)-3-hydroxy-4-methyl-capric acid (4-nitrobenzyl) ester Formula: C18H27NO5 MolecularWeight: 337.41068

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H27NO5/c1-3-4-5-6-7-14(2)17(20)12-18(21)24-13-15-8-10-16(11-9-15)19(22)23/h8-11,14,17,20H,3-7,12-13H2,1-2H3/t14-,17-/m0/s1