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Substance Name: Copper, (N29,N30,N31,N32-tetrakis(2-(2,5-dihydroxyphenyl)-1-methylethyl)-29H,31H-phthalocyanine-2,9,16,23-tetrasulfonamidato(2-)-kappaN29,kappaN30,kappaN31,kappaN32)-, (SP-4-1)-
RN: 74610-56-3
InChIKey: NYEGARCKIBDSDY-UHFFFAOYSA-N

Molecular Formula

  • C68-H60-Cu-N12-O16-S4

Molecular Weight

  • 1493.1
 
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Names and Synonyms

  • Copper, (N,N',N'',N'''-tetrakis(2-(2,5-dihydroxyphenyl)-1-methylethyl)-29H,31H-phthalocyanine-2,9,16,23-tetrasulfonamidato(2-)-kappaN29,kappaN30,kappaN31,kappaN32)-, (SP-4-1)-
  • Copper, (N29,N30,N31,N32-tetrakis(2-(2,5-dihydroxyphenyl)-1-methylethyl)-29H,31H-phthalocyanine-2,9,16,23-tetrasulfonamidato(2-)-kappaN29,kappaN30,kappaN31,kappaN32)-, (SP-4-1)-

Registry Numbers

CAS Registry Number

  • 74610-56-3

System Generated Number

  • 0074610563

Structure Descriptors

InChI

1S/C68H60N12O16S4.Cu/c1-33(22-37-26-41(81)8-18-55(37)85)77-97(89,90)45-12-15-48-52(30-45)65-69-61(48)71-66-54-32-47(99(93,94)79-35(3)24-39-28-43(83)10-20-57(39)87)14-17-50(54)63(73-66)75-68-60-51(6-5-7-59(60)100(95,96)80-36(4)25-40-29-44(84)11-21-58(40)88)64(76-68)74-67-53-31-46(13-16-49(53)62(70-65)72-67)98(91,92)78-34(2)23-38-27-42(82)9-19-56(38)86;/h5-21,26-36,77-80H,22-25H2,1-4H3,(H8-2,69,70,71,72,73,74,75,76,81,82,83,84,85,86,87,88);/q-2;+2

InChIKey

NYEGARCKIBDSDY-UHFFFAOYSA-N

Smiles

CC(Cc1cc(O)ccc1O)NS(=O)(=O)c2ccc3C4=N\C(=N/c5c6cccc(c6c7\N=C\8/N=C(\N=C\9/N([Cu]n57)\C(=N/4)\c%10cc(ccc9%10)S(=O)(=O)NC(C)Cc%11cc(O)ccc%11O)c%12cc(ccc8%12)S(=O)(=O)NC(C)Cc%13cc(O)ccc%13O)S(=O)(=O)NC(C)Cc%14cc(O)ccc%14O)\c3c2