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Substance Name: Chlorophyllin b
RN: 13962-39-5
InChIKey: XYVUTWHYXOKLHS-UHFFFAOYSA-L

Molecular Formula

  • C34-H29-Mg-N4-O7.3H

Molecular Weight

  • 632.953
 
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Names and Synonyms

Results Name

  • Chlorophyllin b

Synonym

  • Chlorophyllin b

Systematic Name

  • Magnesate(3-), ((7S,8S)-3-carboxy-5-(carboxymethyl)-13-ethenyl-18-ethyl-17-formyl-7,8-dihydro-2,8,12-trimethyl-21H,23H-porphine-7-propanoato(5-)- kappaN21,kappaN22,kappaN23,kappaN24)-, trihydrogen, (SP-4-2)-

Registry Numbers

CAS Registry Number

  • 13962-39-5

Other Registry Numbers

  • 12643-03-7
  • 29119-82-2

System Generated Number

  • 0013962395

Molecular Formulas

Molecular Formula

  • C34-H29-Mg-N4-O7.3H

Molecular Formula Fragments

  • C34-H29-Mg-N4-O7
  • COMPONENT
  • H

Structure Descriptors

InChI

1S/C34H34N4O7.Mg/c1-6-18-15(3)23-11-24-16(4)20(8-9-29(40)41)32(37-24)21(10-30(42)43)33-31(34(44)45)17(5)25(38-33)12-27-19(7-2)22(14-39)28(36-27)13-26(18)35-23;/h6,11-14,16,20H,1,7-10H2,2-5H3,(H5,35,36,37,38,39,40,41,42,43,44,45);/q;+2/p-2

InChIKey

XYVUTWHYXOKLHS-UHFFFAOYSA-L

Smiles

[Mg+2].c1(c2[n-]c(cc3nc(C(=C3CC)C=O)cc3[n-]c(cc4nc(c2CC([O-])=O)[C@@H](CCC([O-])=O)[C@@H]4C)c(C)c3C=C)c1C)C([O-])=O