(2S)-2-(6-methoxynaphthalen-2-yl)-2-methyl-6-nitrooxy-hexanoic acid

Systemtic Name: (2S)-2-(6-methoxynaphthalen-2-yl)-2-methyl-6-nitrooxy-hexanoic acid Openeye Name: (2S)-2-(6-methoxy-2-naphthyl)-2-methyl-6-nitrooxy-hexanoic acid CAS Name: (2S)-2-(6-methoxy-2-naphthalenyl)-2-methyl-6-nitrooxyhexanoic acid IUPAC Name: (2S)-2-(6-methoxynaphthalen-2-yl)-2-methyl-6-nitrooxyhexanoic acid Traditional Name: (2S)-2-(6-methoxy-2-naphthyl)-2-methyl-6-nitrooxy-hexanoic acid Formula: C18H21NO6 MolecularWeight: 347.36244

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21NO6/c1-18(17(20)21,9-3-4-10-25-19(22)23)15-7-5-14-12-16(24-2)8-6-13(14)11-15/h5-8,11-12H,3-4,9-10H2,1-2H3,(H,20,21)/t18-/m0/s1