3-(Carboxymethyl)-12-ethenyl-8,13,17-trimethyl-21H,23H-porphine-2,7,18-tripropanoic acid

CAS Registry Number®

86154-18-9

CAS Name

3-(Carboxymethyl)-12-ethenyl-8,13,17-trimethyl-21H,23H-porphine-2,7,18-tripropanoic acid

Molecular Formula

C36H36N4O8

Molecular Mass

652.69

Cite this Page

3-(Carboxymethyl)-12-ethenyl-8,13,17-trimethyl-21H,23H-porphine-2,7,18-tripropanoic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=86154-18-9 (retrieved 2024-11-24) (CAS RN: 86154-18-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C36H36N4O8/c1-5-20-17(2)25-13-26-18(3)21(6-9-33(41)42)29(38-26)15-31-23(8-11-35(45)46)24(12-36(47)48)32(40-31)16-30-22(7-10-34(43)44)19(4)27(39-30)14-28(20)37-25/h5,13-16,37,40H,1,6-12H2,2-4H3,(H,41,42)(H,43,44)(H,45,46)(H,47,48)/b25-13?,26-13-,27-14-,28-14?,29-15?,30-16?,31-15-,32-16-

InChIKey

InChIKey=WFGYAKUWXOQPHP-NYAKJSRYSA-N

SMILES

C(CC(O)=O)C1=C2NC(=C1CC(O)=O)C=C3C(CCC(O)=O)=C(C)C(=N3)C=C4NC(=CC5=NC(=C2)C(CCC(O)=O)=C5C)C(C)=C4C=C

Canonical SMILES

O=C(O)CC1=C2C=C3N=C(C=C4NC(=CC5=NC(=CC(N2)=C1CCC(=O)O)C(=C5C)CCC(=O)O)C(=C4C=C)C)C(=C3CCC(=O)O)C

Other Names for this Substance

  • 21H,23H-Porphine-2,7,18-tripropanoic acid, 3-(carboxymethyl)-12-ethenyl-8,13,17-trimethyl-
  • 3-(Carboxymethyl)-12-ethenyl-8,13,17-trimethyl-21H,23H-porphine-2,7,18-tripropanoic acid
  • Dehydroisocoproporphyrin

CAS INSIGHTSTM
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