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Substance Name: EINECS 260-056-9
RN: 56207-93-3
InChIKey: YSTURSLHBAZLJB-UHFFFAOYSA-N

Molecular Formula

  • C76-H76-Cu-N12-O16-S4

Molecular Weight

  • 1605.31
 
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Names and Synonyms

Results Name

  • EINECS 260-056-9

Synonym

  • EINECS 260-056-9

Systematic Names

  • (N,N',N'',N'''-Tetrakis(2-(2,5-dimethoxyphenyl)-1-methylethyl)-29H,31H-phthalocyanine-1,8,15,22-tetrasulphonamidato(2-)-N29,N30,N31,N32)copper
  • Copper, (N,N',N'',N'''-tetrakis(2-(2,5-dimethoxyphenyl)-1-methylethyl)-29H,31H-phthalocyanine-1,8,15,22-tetrasulfonamidato(2-)-kappaN29,kappaN30,kappaN31,kappaN32)-, (SP-4-1)-

Registry Numbers

CAS Registry Number

  • 56207-93-3

System Generated Number

  • 0056207933

Structure Descriptors

InChI

1S/C76H76N12O16S4.Cu/c1-41(30-45-34-49(97-5)16-26-63(45)101-9)85-105(89,90)53-20-23-56-60(38-53)73-78-69(56)77-72-59-14-13-15-67(108(95,96)88-44(4)33-48-37-52(100-8)19-29-66(48)104-12)68(59)76(83-72)84-75-62-40-55(107(93,94)87-43(3)32-47-36-51(99-7)18-28-65(47)103-11)22-25-58(62)71(82-75)81-74-61-39-54(21-24-57(61)70(79-73)80-74)106(91,92)86-42(2)31-46-35-50(98-6)17-27-64(46)102-10;/h13-29,34-44,85-88H,30-33H2,1-12H3;/q-2;+2

InChIKey

YSTURSLHBAZLJB-UHFFFAOYSA-N

Smiles

[Cu+2].c1(S(N[C@@H](C)Cc2cc(OC)ccc2OC)(=O)=O)ccc2c3[n-]c(c2c1)nc1nc(c2cccc(c12)S(N[C@@H](Cc1cc(ccc1OC)OC)C)(=O)=O)nc1c2ccc(cc2c(nc2c4ccc(S(=O)(N[C@@H](Cc5cc(ccc5OC)OC)C)=O)cc4c(n2)n3)[n-]1)S(=O)(=O)N[C@@H](Cc1c(ccc(c1)OC)OC)C