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

Systemtic Name: methyl (2R)-2-[(2-nitrophenyl)methyl]-2-oxidanyl-4-oxidanylidene-dodecanoate Openeye Name: methyl (2R)-2-hydroxy-2-[(2-nitrophenyl)methyl]-4-oxo-dodecanoate CAS Name: (2R)-2-hydroxy-2-[(2-nitrophenyl)methyl]-4-oxododecanoic acid methyl ester IUPAC Name: methyl (2R)-2-hydroxy-2-[(2-nitrophenyl)methyl]-4-oxododecanoate Traditional Name: (2R)-2-hydroxy-4-keto-2-(2-nitrobenzyl)lauric acid methyl ester Formula: C20H29NO6 MolecularWeight: 379.44736

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H29NO6/c1-3-4-5-6-7-8-12-17(22)15-20(24,19(23)27-2)14-16-11-9-10-13-18(16)21(25)26/h9-11,13,24H,3-8,12,14-15H2,1-2H3/t20-/m1/s1