3-Oxa-6,9,12-triazatetradecan-14-oic acid, 9,12-bis[2-(1,1-dimethylethoxy)-2-oxoethyl]-2,2-dimethyl-4-oxo-6-(trifluoroacetyl)-, 1,1-dimethylethyl ester

CAS Registry Number®

180152-85-6
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CAS Name

3-Oxa-6,9,12-triazatetradecan-14-oic acid, 9,12-bis[2-(1,1-dimethylethoxy)-2-oxoethyl]-2,2-dimethyl-4-oxo-6-(trifluoroacetyl)-, 1,1-dimethylethyl ester

Molecular Formula

C30H52F3N3O9

Molecular Mass

655.74

Cite this Page

3-Oxa-6,9,12-triazatetradecan-14-oic acid, 9,12-bis[2-(1,1-dimethylethoxy)-2-oxoethyl]-2,2-dimethyl-4-oxo-6-(trifluoroacetyl)-, 1,1-dimethylethyl ester.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=180152-85-6 (retrieved 2024-06-26) (CAS RN: 180152-85-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C30H52F3N3O9/c1-26(2,3)42-21(37)17-34(15-16-36(25(41)30(31,32)33)20-24(40)45-29(10,11)12)13-14-35(18-22(38)43-27(4,5)6)19-23(39)44-28(7,8)9/h13-20H2,1-12H3

InChIKey

InChIKey=FUUGKILPDMMCLP-UHFFFAOYSA-N

SMILES

N(CCN(CCN(CC(OC(C)(C)C)=O)C(C(F)(F)F)=O)CC(OC(C)(C)C)=O)(CC(OC(C)(C)C)=O)CC(OC(C)(C)C)=O

Canonical SMILES

O=C(OC(C)(C)C)CN(C(=O)C(F)(F)F)CCN(CC(=O)OC(C)(C)C)CCN(CC(=O)OC(C)(C)C)CC(=O)OC(C)(C)C

Other Names for this Substance

  • 3-Oxa-6,9,12-triazatetradecan-14-oic acid, 9,12-bis[2-(1,1-dimethylethoxy)-2-oxoethyl]-2,2-dimethyl-4-oxo-6-(trifluoroacetyl)-, 1,1-dimethylethyl ester

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