1,7-di-tert-butyl 4-[3-(tert-butoxy)-3-oxopropyl]-4-nitroheptanedioate

Compound number:
MolPort-000-141-308
CAS number: 136587-00-3
IUPAC:
1,7-di-tert-butyl 4-[3-(tert-butoxy)-3-oxopropyl]-4-nitroheptanedioate
IUPAC traditional:
1,7-di-tert-butyl 4-[3-(tert-butoxy)-3-oxopropyl]-4-nitroheptanedioate
SMILES:
CC(C)(C)OC(=O)CCC(CCC(=O)OC(C)(C)C)(CCC(=O)OC(C)(C)C)[N+]([O-])=O
InChI key:
BPYKHOKOZSDHJI-UHFFFAOYSA-N
Molecular formula:
C22H39NO8
Molecular weight: 445.553

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Supplier Catalogue Data


Catalog: Building blocks Ships out: 5 business days Purity: n/a
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1 g August 30, 2019 57.00 USD
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5 g August 30, 2019 173.00 USD
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More Information

Compound Identifiers
Compound number: MolPort-000-141-308
CAS number: 136587-00-3

Names, Synonyms and 3rd Party Identifiers
Name: ZINC000008700546
MFCD06410859
Di-t-butyl 4-2-(t-butoxycarbonyl)ethyl-4-nitroheptanedicarboxylate
di-tert-butyl 4-(3-tert-butoxy-3-oxopropyl)-4-nitroheptanedioate
Di-tert-Butyl-4-nitro-4-(2-Boc ethyl)heptanedioate
Di-tert-Butyl-4-nitro-4-(2-Bocethyl)heptanedioate
Nitrotriester

InChI
InChI: 1S/C22H39NO8/c1-19(2,3)29-16(24)10-13-22(23(27)28,14-11-17(25)30-20(4,5)6)15-12-18(26)31-21(7,8)9/h10-15H2,1-9H3
InChI key: BPYKHOKOZSDHJI-UHFFFAOYSA-N

Calculated Properties
Molecular formula: C22H39NO8
Molecular weight: 445.553

Other

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2019 MolPort, v3.11, release date 23-08-2019 16:00 (+0200). All rights reserved.
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