6-nitrooxyhexyl 2-(6-methoxynaphthalen-2-yl)propanoate

Systemtic Name: 6-nitrooxyhexyl 2-(6-methoxynaphthalen-2-yl)propanoate Openeye Name: 6-nitrooxyhexyl 2-(6-methoxy-2-naphthyl)propanoate CAS Name: 2-(6-methoxy-2-naphthalenyl)propanoic acid 6-nitrooxyhexyl ester IUPAC Name: 6-nitrooxyhexyl 2-(6-methoxynaphthalen-2-yl)propanoate Traditional Name: 2-(6-methoxy-2-naphthyl)propionic acid 6-nitrooxyhexyl ester Formula: C20H25NO6 MolecularWeight: 375.4156

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25NO6/c1-15(20(22)26-11-5-3-4-6-12-27-21(23)24)16-7-8-18-14-19(25-2)10-9-17(18)13-16/h7-10,13-15H,3-6,11-12H2,1-2H3