8-nitrooxyoctyl 2-[4-(4-chlorophenyl)carbonylphenoxy]-2-methyl-propanoate

Systemtic Name: 8-nitrooxyoctyl 2-[4-(4-chlorophenyl)carbonylphenoxy]-2-methyl-propanoate Openeye Name: 8-nitrooxyoctyl 2-[4-(4-chlorobenzoyl)phenoxy]-2-methyl-propanoate CAS Name: 2-[4-[(4-chlorophenyl)-oxomethyl]phenoxy]-2-methylpropanoic acid 8-nitrooxyoctyl ester IUPAC Name: 8-nitrooxyoctyl 2-[4-(4-chlorobenzoyl)phenoxy]-2-methylpropanoate Traditional Name: 2-[4-(4-chlorobenzoyl)phenoxy]-2-methyl-propionic acid 8-nitrooxyoctyl ester Formula: C25H30ClNO7 MolecularWeight: 491.9612

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H30ClNO7/c1-25(2,24(29)32-17-7-5-3-4-6-8-18-33-27(30)31)34-22-15-11-20(12-16-22)23(28)19-9-13-21(26)14-10-19/h9-16H,3-8,17-18H2,1-2H3