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Substance Name: Isonimolide
RN: 113375-81-8
InChIKey: PKOYNOJAZZXAPP-UHFFFAOYSA-N

Molecular Weight

  • 498.612
 
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Names and Synonyms

  • Isonimolide

Registry Numbers

CAS Registry Number

  • 113375-81-8

System Generated Number

  • 0113375818

Structure Descriptors

InChI

1S/C29H38O7/c1-15(30)35-24-22(34-7)23-26(2,3)20(31)11-13-28(23,5)19-10-12-27(4)17(8-9-18(27)29(19,24)6)16-14-21(32)36-25(16)33/h9,11,13-14,17,19,22-25,33H,8,10,12H2,1-7H3

InChIKey

PKOYNOJAZZXAPP-UHFFFAOYSA-N

Smiles

C=1C[C@@H](C=2[C@@H](OC(=O)C2)O)[C@@]2(C1[C@@]1([C@@H](CC2)[C@@]2([C@@H](C(C(C=C2)=O)(C)C)[C@@H]([C@@H]1OC(C)=O)OC)C)C)C