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Substance Name: Bis-1-(deuteroporphyrin-2-yl)ethyl ether tetramethyl ester
RN: 116522-71-5
InChIKey: VCVGDLRFIMAXHC-YSTYVPCDSA-N

Molecular Formula

  • C68-H74-N8-O9

Molecular Weight

  • 1147.3796
 
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Names and Synonyms

Name of Substance

  • Bis-1-(deuteroporphyrin-2-yl)ethyl ether tetramethyl ester

Synonym

  • Dpeete

Systematic Name

  • 21H,23H-Porphine-2,18-dicarboxylic acid, 8,8'-(oxydiethylidene)bis(3,7,12,17-tetramethyl-, tetramethyl ester

Registry Numbers

CAS Registry Number

  • 116522-71-5

System Generated Number

  • 0116522715

Structure Descriptors

InChI

1S/C68H74N8O9/c1-33-23-43-25-51-35(3)45(15-19-63(77)81-11)57(71-51)31-59-47(17-21-65(79)83-13)37(5)53(73-59)29-55-39(7)67(61(75-55)27-49(33)69-43)41(9)85-42(10)68-40(8)56-30-54-38(6)48(18-22-66(80)84-14)60(74-54)32-58-46(16-20-64(78)82-12)36(4)52(72-58)26-44-24-34(2)50(70-44)28-62(68)76-56/h23-32,41-42,69-70,73-74H,15-22H2,1-14H3/b43-25-,44-26-,49-27-,50-28-,51-25-,52-26-,53-29-,54-30-,55-29-,56-30-,57-31-,58-32-,59-31-,60-32-,61-27-,62-28-

InChIKey

VCVGDLRFIMAXHC-YSTYVPCDSA-N

Smiles

Cc1c2/[nH]/c(/c1)c\c3n/c(c\c4[nH]c(c(c4CCC(=O)OC)C)/cc/5\nc(\c2)C(=C5C)C(OC(C6=C(c7/nc6/cc/8\[nH]/c(c\c9n/c(c\c1[nH]c(\c7)c(c1CCC(=O)OC)C)/C(=C9C)CCC(=O)OC)/cc8C)C)C)C)/C(=C3C)CCC(=O)OC