2,4,4-trimethylpentan-2-yl 4-(tert-butyldiazenyl)-4-(4-tert-butylsulfanylphenoxy)peroxy-pentanoate

Systemtic Name: 2,4,4-trimethylpentan-2-yl 4-(tert-butyldiazenyl)-4-(4-tert-butylsulfanylphenoxy)peroxy-pentanoate Openeye Name: 1,1,3,3-tetramethylbutyl 4-tert-butylazo-4-(4-tert-butylsulfanylphenoxy)peroxy-pentanoate CAS Name: 4-tert-butylazo-4-[4-(tert-butylthio)phenoxy]dioxypentanoic acid 2,4,4-trimethylpentan-2-yl ester IUPAC Name: 2,4,4-trimethylpentan-2-yl 4-(tert-butyldiazenyl)-4-(4-tert-butylsulfanylphenoxy)peroxypentanoate Traditional Name: 4-tert-butylazo-4-[4-(tert-butylthio)phenoxy]peroxy-valeric acid 1,1,3,3-tetramethylbutyl ester Formula: C27H46N2O5S MolecularWeight: 510.72954

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CC(C)(C)OC(=O)CCC(C)(N=NC(C)(C)C)OOOC1=CC=C(C=C1)SC(C)(C)C

Isomeric SMILES

CC(C)(C)CC(C)(C)OC(=O)CCC(C)(N=NC(C)(C)C)OOOC1=CC=C(C=C1)SC(C)(C)C

InChI

InChI=1S/C27H46N2O5S/c1-23(2,3)19-26(10,11)31-22(30)17-18-27(12,29-28-24(4,5)6)33-34-32-20-13-15-21(16-14-20)35-25(7,8)9/h13-16H,17-19H2,1-12H3