Tin protoporphyrin

CAS Registry Number®

14325-05-4

CAS Name

Tin protoporphyrin

Molecular Formula

C34H30Cl2N4O4Sn.2H

Cite this Page

Tin protoporphyrin.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=14325-05-4 (retrieved 2024-11-22) (CAS RN: 14325-05-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C34H34N4O4.2ClH.Sn/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25;;;/h7-8,13-16H,1-2,9-12H2,3-6H3,(H4,35,36,37,38,39,40,41,42);2*1H;/q;;;+4/p-4/b25-13-,26-13?,27-14?,28-15?,29-14-,30-15-,31-16-,32-16?;;;

InChIKey

InChIKey=HDGCWLZQBOZSGG-ZDFUXGFKSA-J

SMILES

[Cl-][Sn+4]123([Cl-])[N-]4C5=CC6=[N]1C(=CC=7[N-]2C(C=C8[N]3=C(C=C4C(C)=C5CCC([O-])=O)C(C=C)=C8C)=C(C=C)C7C)C(C)=C6CCC([O-])=O.[H+]

Canonical SMILES

[H+].O=C([O-])CCC=1C=2C=C3C(=C(C4=CC=5C(C=C)=C(C6=CC7=C(C=C)C(=C8C=C(C1C)[N]2[Sn+4]([Cl-])([Cl-])([N]56)([N-]78)[N-]43)C)C)C)CCC(=O)[O-]

Other Names for this Substance

  • Stannate(2-), dichloro[7,12-diethenyl-3,8,13,17-tetramethyl-21H,23H-porphine-2,18-dipropanoato(4-)-κN21,κN22,κN23,κN24]-, hydrogen (1:2), (OC-6-13)-
  • Stannate(2-), dichloro[7,12-diethenyl-3,8,13,17-tetramethyl-21H,23H-porphine-2,18-dipropanoato(4-)-N21,N22,N23,N24]-, dihydrogen, (OC-6-13)-
  • Tin, [dihydrogen protoporphyrin IX-ato(2-)]-
  • Stannate(2-), dichloro[7,12-diethenyl-3,8,13,17-tetramethyl-21H,23H-porphine-2,18-dipropanoato(4-)-κN21,κN22,κN23,κN24]-, dihydrogen, (OC-6-13)-
  • 21H,23H-Porphine-2,18-dipropanoic acid, 7,12-diethenyl-3,8,13,17-tetramethyl-, tin complex

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Deleted or Replaced CAS Registry Numbers

99022-74-9

CAS INSIGHTSTM
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