[3-methyl-3-nitroso-2,4-bis(oxidanylidene)hexyl] 5-(2,5-dimethylphenoxy)-2,2-dimethyl-pentanoate

Systemtic Name: [3-methyl-3-nitroso-2,4-bis(oxidanylidene)hexyl] 5-(2,5-dimethylphenoxy)-2,2-dimethyl-pentanoate Openeye Name: (3-methyl-3-nitroso-2,4-dioxo-hexyl) 5-(2,5-dimethylphenoxy)-2,2-dimethyl-pentanoate CAS Name: 5-(2,5-dimethylphenoxy)-2,2-dimethylpentanoic acid (3-methyl-3-nitroso-2,4-dioxohexyl) ester IUPAC Name: (3-methyl-3-nitroso-2,4-dioxohexyl) 5-(2,5-dimethylphenoxy)-2,2-dimethylpentanoate Traditional Name: 5-(2,5-dimethylphenoxy)-2,2-dimethyl-valeric acid (2,4-diketo-3-methyl-3-nitroso-hexyl) ester Formula: C22H31NO6 MolecularWeight: 405.48464

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C(C)(C(=O)COC(=O)C(C)(C)CCCOC1=C(C=CC(=C1)C)C)N=O

Isomeric SMILES

CCC(=O)C(C)(C(=O)COC(=O)C(C)(C)CCCOC1=C(C=CC(=C1)C)C)N=O

InChI

InChI=1S/C22H31NO6/c1-7-18(24)22(6,23-27)19(25)14-29-20(26)21(4,5)11-8-12-28-17-13-15(2)9-10-16(17)3/h9-10,13H,7-8,11-12,14H2,1-6H3