3,3′,3′′,3′′′-(21H,23H-Porphine-5,10,15,20-tetrayl)tetrakis[benzoic acid]

CAS Registry Number®

70152-54-4

CAS Name

3,3′,3′′,3′′′-(21H,23H-Porphine-5,10,15,20-tetrayl)tetrakis[benzoic acid]

Molecular Formula

C48H30N4O8

Molecular Mass

790.77

Cite this Page

3,3′,3′′,3′′′-(21H,23H-Porphine-5,10,15,20-tetrayl)tetrakis[benzoic acid].   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=70152-54-4 (retrieved 2024-11-24) (CAS RN: 70152-54-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C48H30N4O8/c53-45(54)29-9-1-5-25(21-29)41-33-13-15-35(49-33)42(26-6-2-10-30(22-26)46(55)56)37-17-19-39(51-37)44(28-8-4-12-32(24-28)48(59)60)40-20-18-38(52-40)43(36-16-14-34(41)50-36)27-7-3-11-31(23-27)47(57)58/h1-24,49,52H,(H,53,54)(H,55,56)(H,57,58)(H,59,60)/b41-33-,41-34?,42-35-,42-37?,43-36-,43-38?,44-39-,44-40?

InChIKey

InChIKey=KTDODSLHBMLUSL-VQHGFYMWSA-N

SMILES

C(O)(=O)C=1C=C(C=2C=3NC(=CC3)C(=C4N=C(C=C4)C(=C5NC(=C(C6=NC2C=C6)C7=CC(C(O)=O)=CC=C7)C=C5)C8=CC(C(O)=O)=CC=C8)C9=CC(C(O)=O)=CC=C9)C=CC1

Canonical SMILES

O=C(O)C1=CC=CC(=C1)C=2C3=NC(C=C3)=C(C=4C=CC=C(C4)C(=O)O)C5=CC=C(N5)C(=C6N=C(C=C6)C(C=7C=CC=C(C7)C(=O)O)=C8C=CC2N8)C=9C=CC=C(C9)C(=O)O

Other Names for this Substance

  • Benzoic acid, 3,3′,3′′,3′′′-(21H,23H-porphine-5,10,15,20-tetrayl)tetrakis-
  • 3,3′,3′′,3′′′-(21H,23H-Porphine-5,10,15,20-tetrayl)tetrakis[benzoic acid]
  • meso-Tetrakis(m-carboxyphenyl)porphine
  • meso-Tetrakis(3-carboxyphenyl)porphine

CAS INSIGHTSTM
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