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Substance Name: Benzoic acid, 2-(2,4-bis(1,1-dimethylpropyl)phenoxy)-5-nitro-
RN: 63123-17-1
InChIKey: CJWHTIHYKSLYDE-UHFFFAOYSA-N

Molecular Formula

  • C23-H29-N-O5

Molecular Weight

  • 399.484
 
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Names and Synonyms

Synonym

  • 2-(2,4-Bis(1,1-dimethylpropyl)phenoxy)-5-nitrobenzoic acid

Systematic Name

  • Benzoic acid, 2-(2,4-bis(1,1-dimethylpropyl)phenoxy)-5-nitro-

Registry Numbers

CAS Registry Number

  • 63123-17-1

System Generated Number

  • 0063123171

Structure Descriptors

InChI

1S/C23H29NO5/c1-7-22(3,4)15-9-11-20(18(13-15)23(5,6)8-2)29-19-12-10-16(24(27)28)14-17(19)21(25)26/h9-14H,7-8H2,1-6H3,(H,25,26)

InChIKey

CJWHTIHYKSLYDE-UHFFFAOYSA-N

Smiles

O=C(O)c1cc([N+]([O-])=O)ccc1Oc1c(cc(cc1)C(CC)(C)C)C(CC)(C)C