Hostanox O3

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Systematic / IUPAC Name: 1,2-Ethanediyl bis{3,3-bis[4-hydroxy-3-(2-methyl-2-propanyl)phenyl]butanoate}

ID: Reference2644

Other Names: Benzenepropanoic acid, 3-(1,1-dimethylethyl)-β-[3-(1,1-dimethylethyl)-4-hydroxyphenyl]-4-hydroxy-β-methyl-, 1,2-ethanediyl ester;
Ethane-1,2-diyl bis[3,3-bis(3-tert-butyl-4-hydroxyphenyl)butanoate];
Ethylene bis[3,3-bis(3-tert-butyl-4-hydroxyphenyl)butyrate]

Formula: C50H66O8

Class: Extractables/Leachables

Spectral Data

Hostanox O3 mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Q Exactive Orbitrap
No. of Spectral Trees 1
No. of Spectra 118
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 3/16/2016 12:33:25 PM
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Identificators

InChI InChI=1S/C50H66O8/c1-45(2,3)35-25-31(15-19-39(35)51)49(13,32-16-20-40(52)36(26-32)46(4,5)6)29-43(55)57-23-24-58-44(56)30-50(14,33-17-21-41(53)37(27-33)47(7,8)9)34-18-22-42(54)38(28-34)48(10,11)12/h15-22,25-28,51-54H,23-24,29-30H2,1-14H3
InChI Key JOWXNCPELQZFHF-UHFFFAOYSA-N
Canonical SMILES CC(C)(C)C1=C(C=CC(=C1)C(C)(CC(=O)OCCOC(=O)CC(C)(C2=CC(=C(C=C2)O)C(C)(C)C)C3=CC(=C(C=C3)O)C(C)(C)C)C4=CC(=C(C=C4)O)C(C)(C)C)O
CAS 32509663
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Other Names Benzenepropanoic acid, 3-(1,1-dimethylethyl)-β-[3-(1,1-dimethylethyl)-4-hydroxyphenyl]-4-hydroxy-β-methyl-, 1,2-ethanediyl ester;
Ethane-1,2-diyl bis[3,3-bis(3-tert-butyl-4-hydroxyphenyl)butanoate];
Ethylene bis[3,3-bis(3-tert-butyl-4-hydroxyphenyl)butyrate]

In Other Databases

ChemIDPlus 032509663
PubChem 122891
ChemSpider 109542