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Substance Name: Cholesteryl dichlorobenzoate
RN: 32832-01-2
UNII: 02YJ05O7O7
InChIKey: NZZFKZMKJPWVDL-XBGNAKIGSA-N

Molecular Formula

  • C34-H48-Cl2-O2

Molecular Weight

  • 559.6572
 
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Names and Synonyms

Name of Substance

  • Cholesteryl dichlorobenzoate

Synonyms

  • EINECS 251-248-3
  • UNII-02YJ05O7O7

Systematic Names

  • Cholest-5-en-3-ol (3beta)-, 2,4-dichlorobenzoate
  • Cholest-5-en-3-ol (3beta)-, 3-(2,4-dichlorobenzoate)
  • Cholest-5-en-3beta-yl 2,4-dichlorobenzoate

Registry Numbers

CAS Registry Number

  • 32832-01-2

FDA UNII

  • 02YJ05O7O7

System Generated Number

  • 0032832012

Structure Descriptors

InChI

1S/C34H48Cl2O2/c1-21(2)7-6-8-22(3)28-13-14-29-26-11-9-23-19-25(38-32(37)27-12-10-24(35)20-31(27)36)15-17-33(23,4)30(26)16-18-34(28,29)5/h9-10,12,20-22,25-26,28-30H,6-8,11,13-19H2,1-5H3/t22-,25+,26+,28-,29+,30+,33+,34-/m1/s1

InChIKey

NZZFKZMKJPWVDL-XBGNAKIGSA-N

Smiles

CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)OC(=O)c5ccc(Cl)cc5Cl