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Substance Name: Heptacarboxylic porphyrin
RN: 25744-38-1
InChIKey: NGHBDJAOMFYFRP-PKXAPQLQSA-N

Molecular Formula

  • C39-H38-N4-O14

Molecular Weight

  • 786.743
 
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Names and Synonyms

Name of Substance

  • Heptacarboxylic porphyrin

Systematic Name

  • 21H,23H-Porphine-2,7,12,18-tetrapropanoic acid, 3,8,13-tris(carboxymethyl)-17-methyl-

Registry Numbers

CAS Registry Number

  • 25744-38-1

System Generated Number

  • 0025744381

Structure Descriptors

InChI

1S/C39H38N4O14/c1-17-18(2-6-33(44)45)26-14-27-20(4-8-35(48)49)23(11-38(54)55)31(42-27)16-29-21(5-9-36(50)51)24(12-39(56)57)32(43-29)15-28-19(3-7-34(46)47)22(10-37(52)53)30(41-28)13-25(17)40-26/h13-16,41-42H,2-12H2,1H3,(H,44,45)(H,46,47)(H,48,49)(H,50,51)(H,52,53)(H,54,55)(H,56,57)/b25-13-,26-14-,27-14-,28-15-,29-16-,30-13-,31-16-,32-15-

InChIKey

NGHBDJAOMFYFRP-PKXAPQLQSA-N

Smiles

C(O)(=O)CCC1=C(c2nc1cc1c(CCC(O)=O)c(c(cc3nc(C(CC(O)=O)=C3CCC(O)=O)cc3[nH]c(c2)c(CC(O)=O)c3CCC(O)=O)[nH]1)CC(O)=O)C