methyl (2R)-2-[(2-nitrophenyl)methyl]-2-oxidanyl-4-oxidanylidene-decanoate

Systemtic Name: methyl (2R)-2-[(2-nitrophenyl)methyl]-2-oxidanyl-4-oxidanylidene-decanoate Openeye Name: methyl (2R)-2-hydroxy-2-[(2-nitrophenyl)methyl]-4-oxo-decanoate CAS Name: (2R)-2-hydroxy-2-[(2-nitrophenyl)methyl]-4-oxodecanoic acid methyl ester IUPAC Name: methyl (2R)-2-hydroxy-2-[(2-nitrophenyl)methyl]-4-oxodecanoate Traditional Name: (2R)-2-hydroxy-4-keto-2-(2-nitrobenzyl)capric acid methyl ester Formula: C18H25NO6 MolecularWeight: 351.3942

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(=O)CC(CC1=CC=CC=C1[N+](=O)[O-])(C(=O)OC)O

Isomeric SMILES

CCCCCCC(=O)C[C@](CC1=CC=CC=C1[N+](=O)[O-])(C(=O)OC)O

InChI

InChI=1S/C18H25NO6/c1-3-4-5-6-10-15(20)13-18(22,17(21)25-2)12-14-9-7-8-11-16(14)19(23)24/h7-9,11,22H,3-6,10,12-13H2,1-2H3/t18-/m1/s1