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Substance Name: KM 1
RN: 215785-47-0
InChIKey: NXERALCTVVLOPU-FWPNIJMCSA-L

Molecular Formula

  • C39-H28-N6-O13-S2

Molecular Weight

  • 850.7954
 
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Names and Synonyms

Results Name

  • KM 1

Synonym

  • KM-1

Systematic Name

  • 2-Propenoic acid, 3,3'-(carbonylbis(imino(1-hydroxy-3-sulfo-6,2-naphthalenediyl)azo-4,1-phenylene))bis-, (2E,2'E)-

Registry Numbers

CAS Registry Number

  • 215785-47-0

System Generated Number

  • 0215785470

Structure Descriptors

InChI

1S/C39H28N6O13S2/c46-33(47)15-5-21-1-7-25(8-2-21)42-44-35-31(59(53,54)55)19-23-17-27(11-13-29(23)37(35)50)40-39(52)41-28-12-14-30-24(18-28)20-32(60(56,57)58)36(38(30)51)45-43-26-9-3-22(4-10-26)6-16-34(48)49/h1-20,42-43H,(H,46,47)(H,48,49)(H2,40,41,52)(H,53,54,55)(H,56,57,58)/p-2/b15-5+,16-6+,44-35+,45-36+

InChIKey

NXERALCTVVLOPU-FWPNIJMCSA-L

Smiles

OC(=O)\C=C\c1ccc(N\N=C/2\C(=O)c3ccc(NC(=O)Nc4ccc5C(=O)\C(=N\Nc6ccc(\C=C\C(=O)O)cc6)\C(=Cc5c4)S(=O)(=O)[O-])cc3C=C2S(=O)(=O)[O-])cc1