Chlorophyllin, copper sodium complex

CAS Registry Number®

11006-34-1
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CAS Name

Chlorophyllin, copper sodium complex

Molecular Formula

C34H31CuN4O6.3Na

Cite this Page

Chlorophyllin, copper sodium complex.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?ref=11006-34-1 (retrieved 2024-04-20) (CAS RN: 11006-34-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C34H36N4O6.Cu.3Na/c1-7-19-15(3)23-12-25-17(5)21(9-10-29(39)40)32(37-25)22(11-30(41)42)33-31(34(43)44)18(6)26(38-33)14-28-20(8-2)16(4)24(36-28)13-27(19)35-23;;;;/h7,12-14,17,21H,1,8-11H2,2-6H3,(H5,35,36,37,38,39,40,41,42,43,44);;;;/q;+2;3*+1/p-5/t17-,21-;;;;/m0..../s1

InChIKey

InChIKey=HWDGVJUIHRPKFR-ZWPRWVNUSA-I

SMILES

C(C([O-])=O)C=1C2=[N]3[Cu+2]45[N-]6C1C(C([O-])=O)=C(C)C6=CC7=[N]4C(=CC=8[N-]5C(C=C3[C@@H](C)[C@@H]2CCC([O-])=O)=C(C)C8C=C)C(C)=C7CC.[Na+]

Canonical SMILES

[Na+].O=C([O-])C1=C2C(=C3[N]4=C(C=C5C(=C(C=C)C6=CC=7C(=C(C8=CC(=C1C)[N-]2[Cu+2]4([N]78)[N-]65)CC)C)C)C(C)C3CCC(=O)[O-])CC(=O)[O-]

Other Names for this Substance

  • Cuprate(3-), [(7S,8S)-3-carboxy-5-(carboxymethyl)-13-ethenyl-18-ethyl-7,8-dihydro-2,8,12,17-tetramethyl-21H,23H-porphine-7-propanoato(5-)-κN21,κN22,κN23,κN24]-, sodium (1:3), (SP-4-2)-
  • Chlorophyllin, copper sodium complex
  • Chlorine e6, copper deriv., trisodium salt
  • Cuprate(3-), [(7S,8S)-3-carboxy-5-(carboxymethyl)-13-ethenyl-18-ethyl-7,8-dihydro-2,8,12,17-tetramethyl-21H,23H-porphine-7-propanoato(5-)-κN21,κN22,κN23,κN24]-, trisodium, (SP-4-2)-
  • Sodium-copper chlorin e6

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Deleted or Replaced CAS Registry Numbers

65963-40-8, 2649093-78-5

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