2,2-dimethyl-5-[5-methyl-2-[3-methyl-3-nitroso-2,4-bis(oxidanylidene)hexoxy]phenoxy]pentanoic acid

Systemtic Name: 2,2-dimethyl-5-[5-methyl-2-[3-methyl-3-nitroso-2,4-bis(oxidanylidene)hexoxy]phenoxy]pentanoic acid Openeye Name: 2,2-dimethyl-5-[5-methyl-2-(3-methyl-3-nitroso-2,4-dioxo-hexoxy)phenoxy]pentanoic acid CAS Name: 2,2-dimethyl-5-[5-methyl-2-(3-methyl-3-nitroso-2,4-dioxohexoxy)phenoxy]pentanoic acid IUPAC Name: 2,2-dimethyl-5-[5-methyl-2-(3-methyl-3-nitroso-2,4-dioxohexoxy)phenoxy]pentanoic acid Traditional Name: 5-[2-(2,4-diketo-3-methyl-3-nitroso-hexoxy)-5-methyl-phenoxy]-2,2-dimethyl-valeric acid Formula: C21H29NO7 MolecularWeight: 407.45746

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C(C)(C(=O)COC1=C(C=C(C=C1)C)OCCCC(C)(C)C(=O)O)N=O

Isomeric SMILES

CCC(=O)C(C)(C(=O)COC1=C(C=C(C=C1)C)OCCCC(C)(C)C(=O)O)N=O

InChI

InChI=1S/C21H29NO7/c1-6-17(23)21(5,22-27)18(24)13-29-15-9-8-14(2)12-16(15)28-11-7-10-20(3,4)19(25)26/h8-9,12H,6-7,10-11,13H2,1-5H3,(H,25,26)