21H,23H-Porphinehexacarboxylic acid

CAS Registry Number®

28100-67-6

CAS Name

21H,23H-Porphinehexacarboxylic acid

Molecular Formula

C38H38N4O12

Molecular Mass

742.73

Cite this Page

21H,23H-Porphinehexacarboxylic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=28100-67-6 (retrieved 2024-11-08) (CAS RN: 28100-67-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C38H38N4O12/c1-17-19(3-7-33(43)44)27-14-29-21(5-9-35(47)48)24(12-38(53)54)32(41-29)16-30-22(6-10-36(49)50)23(11-37(51)52)31(42-30)15-28-20(4-8-34(45)46)18(2)26(40-28)13-25(17)39-27/h13-16,40-41H,3-12H2,1-2H3,(H,43,44)(H,45,46)(H,47,48)(H,49,50)(H,51,52)(H,53,54)/b25-13-,26-13?,27-14?,28-15?,29-14-,30-16?,31-15-,32-16-

InChIKey

InChIKey=VQFYONCZECTVOH-BVAMATCNSA-N

SMILES

C(C(O)=O)C1=C2C=C3C(CCC(O)=O)=C(CC(O)=O)C(=N3)C=C4C(CCC(O)=O)=C(C)C(N4)=CC5=NC(=CC(N2)=C1CCC(O)=O)C(CCC(O)=O)=C5C

Canonical SMILES

O=C(O)CC=1C2=NC(=CC=3NC(C=C4N=C(C=C5NC(=C2)C(=C5C)CCC(=O)O)C(=C4CCC(=O)O)C)=C(C3CC(=O)O)CCC(=O)O)C1CCC(=O)O

Other Names for this Substance

  • 21H,23H-Porphine-2,7,12,18-tetrapropanoic acid, 3,8-bis(carboxymethyl)-13,17-dimethyl-
  • 2,7,12,18-Porphinetetrapropionic acid, 3,8-bis(carboxymethyl)-13,17-dimethyl-
  • 3,8-Bis(carboxymethyl)-13,17-dimethyl-21H,23H-porphine-2,7,12,18-tetrapropanoic acid
  • 21H,23H-Porphinehexacarboxylic acid
  • 5,10,15,20,22,24-Hexahydro-21H,23H-porphinehexacarboxylic acid

Deleted or Replaced CAS Registry Numbers

123322-65-6, 123322-63-4, 28852-24-6

CAS INSIGHTSTM
Abstract Background of Blurry Golden Particles