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Substance Name: Heptanoic acid, 3-ethyl-2-(1-methylethyl)-, (3- phenoxyphenyl)methyl ester
RN: 112474-08-5
InChIKey: KKCRGEHAFHBWCJ-UHFFFAOYSA-N

Molecular Weight

  • 382.541
 
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Names and Synonyms

Synonym

  • 3-Ethyl-2-propan-2-ylheptanoic acid (3-phenoxyphenyl)methyl ester

Systematic Name

  • Heptanoic acid, 3-ethyl-2-(1-methylethyl)-, (3- phenoxyphenyl)methyl ester

Registry Numbers

CAS Registry Number

  • 112474-08-5

System Generated Number

  • 0112474085

Structure Descriptors

InChI

1S/C25H34O3/c1-5-7-13-21(6-2)24(19(3)4)25(26)27-18-20-12-11-16-23(17-20)28-22-14-9-8-10-15-22/h8-12,14-17,19,21,24H,5-7,13,18H2,1-4H3

InChIKey

KKCRGEHAFHBWCJ-UHFFFAOYSA-N

Smiles

C([C@@H]([C@@H](CCCC)CC)C(C)C)(=O)OCc1cc(ccc1)Oc1ccccc1