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Substance Name: Isometachromin
RN: 145401-37-2
InChIKey: QWVBWKKUVQTKEX-RIYZIHGNSA-N

Molecular Formula

  • C22-H30-O4

Molecular Weight

  • 358.475
 
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Names and Synonyms

Name of Substance

  • Isometachromin

Synonyms

  • (E)-(-)-2-Hydroxy-5-methoxy-3-(3-methyl-5-(2,6,6-trimethyl-2-cyclohexen-1-yl)-2-pentenyl)-2,5-cyclohexadiene-1,4-dione
  • Isometachromin

Systematic Name

  • 2,5-Cyclohexadiene-1,4-dione, 2-hydroxy-5-methoxy-3-(3-methyl-5-(2,6,6-trimethyl-2-cyclohexen-1-yl)-2-pentenyl)-, (E)-(-)-

Registry Numbers

CAS Registry Number

  • 145401-37-2

System Generated Number

  • 0145401372

Structure Descriptors

InChI

1S/C22H30O4/c1-14(9-11-17-15(2)7-6-12-22(17,3)4)8-10-16-20(24)18(23)13-19(26-5)21(16)25/h7-8,13,17,24H,6,9-12H2,1-5H3/b14-8+

InChIKey

QWVBWKKUVQTKEX-RIYZIHGNSA-N

Smiles

C1CC=C(C)[C@@H](C1(C)C)CC\C(=C\CC=1C(C(=CC(C1O)=O)OC)=O)C