[(2S,3S)-2,3-dinitrooxy-4-oxidanyl-butyl] (2S)-2-(6-methoxynaphthalen-2-yl)propanoate

Systemtic Name: [(2S,3S)-2,3-dinitrooxy-4-oxidanyl-butyl] (2S)-2-(6-methoxynaphthalen-2-yl)propanoate Openeye Name: [(2S,3S)-4-hydroxy-2,3-dinitrooxy-butyl] (2S)-2-(6-methoxy-2-naphthyl)propanoate CAS Name: (2S)-2-(6-methoxy-2-naphthalenyl)propanoic acid [(2S,3S)-4-hydroxy-2,3-dinitrooxybutyl] ester IUPAC Name: [(2S,3S)-4-hydroxy-2,3-dinitrooxybutyl] (2S)-2-(6-methoxynaphthalen-2-yl)propanoate Traditional Name: (2S)-2-(6-methoxy-2-naphthyl)propionic acid [(2S,3S)-4-hydroxy-2,3-dinitrooxy-butyl] ester Formula: C18H20N2O10 MolecularWeight: 424.3588

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC2=C(C=C1)C=C(C=C2)OC)C(=O)OCC(C(CO)O[N+](=O)[O-])O[N+](=O)[O-]

Isomeric SMILES

C[C@@H](C1=CC2=C(C=C1)C=C(C=C2)OC)C(=O)OC[C@@H]([C@H](CO)O[N+](=O)[O-])O[N+](=O)[O-]

InChI

InChI=1S/C18H20N2O10/c1-11(12-3-4-14-8-15(27-2)6-5-13(14)7-12)18(22)28-10-17(30-20(25)26)16(9-21)29-19(23)24/h3-8,11,16-17,21H,9-10H2,1-2H3/t11-,16-,17-/m0/s1