3-oxidanylbutyl 4-cyano-4-[[2-cyano-5-(3-oxidanylbutoxy)-5-oxidanylidene-pentan-2-yl]diazenyl]pentanoate

Systemtic Name: 3-oxidanylbutyl 4-cyano-4-[[2-cyano-5-(3-oxidanylbutoxy)-5-oxidanylidene-pentan-2-yl]diazenyl]pentanoate Openeye Name: 3-hydroxybutyl 4-cyano-4-[1-cyano-4-(3-hydroxybutoxy)-1-methyl-4-oxo-butyl]azo-pentanoate CAS Name: 4-cyano-4-[2-cyano-5-(3-hydroxybutoxy)-5-oxopentan-2-yl]azopentanoic acid 3-hydroxybutyl ester IUPAC Name: 3-hydroxybutyl 4-cyano-4-[[2-cyano-5-(3-hydroxybutoxy)-5-oxopentan-2-yl]diazenyl]pentanoate Traditional Name: 4-cyano-4-[1-cyano-4-(3-hydroxybutoxy)-4-keto-1-methyl-butyl]azo-valeric acid 3-hydroxybutyl ester Formula: C20H32N4O6 MolecularWeight: 424.49128

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCOC(=O)CCC(C)(C#N)N=NC(C)(CCC(=O)OCCC(C)O)C#N)O

Isomeric SMILES

CC(CCOC(=O)CCC(C)(C#N)N=NC(C)(CCC(=O)OCCC(C)O)C#N)O

InChI

InChI=1S/C20H32N4O6/c1-15(25)7-11-29-17(27)5-9-19(3,13-21)23-24-20(4,14-22)10-6-18(28)30-12-8-16(2)26/h15-16,25-26H,5-12H2,1-4H3