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Substance Name: 2-Vinyl-4-isopropyldeuteroheme
RN: 105236-15-5
InChIKey: BPOAJEAUIKJCJY-AIHLWIBKSA-L

Molecular Weight

  • 632.538
 
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Names and Synonyms

  • 2-Vinyl-4-isopropyldeuteroheme

Registry Numbers

CAS Registry Number

  • 105236-15-5

System Generated Number

  • 0105236155

Structure Descriptors

InChI

1S/C35H38N4O4.Fe/c1-8-22-18(4)25-13-26-19(5)23(9-11-33(40)41)30(37-26)16-31-24(10-12-34(42)43)20(6)27(38-31)15-32-35(17(2)3)21(7)28(39-32)14-29(22)36-25;/h8,13-17H,1,9-12H2,2-7H3,(H4,36,37,38,39,40,41,42,43);/q;+2/p-2/b25-13-,26-13-,27-15-,28-14-,29-14-,30-16-,31-16-,32-15-;

InChIKey

BPOAJEAUIKJCJY-AIHLWIBKSA-L

Smiles

[Fe+2].C1(CCC(=O)[O-])=C(C)c2cc3[n-]c(cc4C(=C(c(n4)cc4[n-]c(cc1n2)c(c4C)CCC([O-])=O)C)C=C)c(C)c3C(C)C