6-nitrooxyhexyl 2-[4-(4-chlorophenyl)carbonylphenoxy]-2-methyl-propanoate

Systemtic Name: 6-nitrooxyhexyl 2-[4-(4-chlorophenyl)carbonylphenoxy]-2-methyl-propanoate Openeye Name: 6-nitrooxyhexyl 2-[4-(4-chlorobenzoyl)phenoxy]-2-methyl-propanoate CAS Name: 2-[4-[(4-chlorophenyl)-oxomethyl]phenoxy]-2-methylpropanoic acid 6-nitrooxyhexyl ester IUPAC Name: 6-nitrooxyhexyl 2-[4-(4-chlorobenzoyl)phenoxy]-2-methylpropanoate Traditional Name: 2-[4-(4-chlorobenzoyl)phenoxy]-2-methyl-propionic acid 6-nitrooxyhexyl ester Formula: C23H26ClNO7 MolecularWeight: 463.90804

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)OCCCCCCO[N+](=O)[O-])OC1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)Cl

Isomeric SMILES

CC(C)(C(=O)OCCCCCCO[N+](=O)[O-])OC1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C23H26ClNO7/c1-23(2,22(27)30-15-5-3-4-6-16-31-25(28)29)32-20-13-9-18(10-14-20)21(26)17-7-11-19(24)12-8-17/h7-14H,3-6,15-16H2,1-2H3