6-nitrooxyhexyl 2-[4-(2-methylpropyl)phenyl]propanoate

Systemtic Name: 6-nitrooxyhexyl 2-[4-(2-methylpropyl)phenyl]propanoate Openeye Name: 6-nitrooxyhexyl 2-(4-isobutylphenyl)propanoate CAS Name: 2-[4-(2-methylpropyl)phenyl]propanoic acid 6-nitrooxyhexyl ester IUPAC Name: 6-nitrooxyhexyl 2-[4-(2-methylpropyl)phenyl]propanoate Traditional Name: 2-(4-isobutylphenyl)propionic acid 6-nitrooxyhexyl ester Formula: C19H29NO5 MolecularWeight: 351.43726

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H29NO5/c1-15(2)14-17-8-10-18(11-9-17)16(3)19(21)24-12-6-4-5-7-13-25-20(22)23/h8-11,15-16H,4-7,12-14H2,1-3H3