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Reference substances

Reference substances

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General information

Inventory

EC number:
274-572-7
EC name:
(1,2-dioxoethylene)bis(iminoethylene) bis[3-(3,5-di-tert-butyl-4-hydroxyphenyl)propionate]
CAS number:
70331-94-1

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Reference substance information

IUPAC name:
2-{[(2-{[3-(3,5-di-tert-butyl-4-hydroxyphenyl)propanoyl]oxy}ethyl)carbamoyl]formamido}ethyl 3-(3,5-di-tert-butyl-4-hydroxyphenyl)propanoate
Synonyms
Names:
Benzenepropanoic acid, 3,5-bis(1,1-dimethylethyl)-4-hydroxy-, (1,2-dioxo-1,2-ethanediyl) bis(imino-2,1-ethanediyl) ester
Benzenepropanoic acid, 3,5-bis(1,1-dimethylethyl)-4-hydroxy-, (1,2-dioxo-1,2-ethanediyl)bis(imino-2,1-ethanediyl) ester
Identifier:
CAS number
70331-94-1
Identifier:
other: SMILES notation
CC(C)(C)c1cc(CCC(=O)O)cc(c1O)C(C)(C)C.CC(C)(C)c2cc(CCC(=O)O)cc(c2O)C(C)(C)C.N=C=CC(=O)C(=O)C=C=N
3-(3,5-di-tert-butyl-4-hydroxyphenyl)propanoic acid - 1,6-diiminohexa-1,5-diene-3,4-dione (2:1)

CAS information

CAS number:
70331-94-1

Molecular and structural information

Molecular formula:
C40H60N2O8
Molecular weight:
696.923
SMILES notation:
C1(C(C)(C)C)=C(O)C(=CC(=C1)CCC(=O)OCCNC(=O)C(=O)NCCOC(=O)CCC(C=C(C1O)C(C)(C)C)=CC=1C(C)(C)C)C(C)(C)C
InChl:
InChI=1/2C17H26O3.C6H4N2O2/c2*1-16(2,3)12-9-11(7-8-14(18)19)10-13(15(12)20)17(4,5)6;7-3-1-5(9)6(10)2-4-8/h2*9-10,20H,7-8H2,1-6H3,(H,18,19);1-2,7-8H
Structural formula:
Chemical structure