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Substance Name: Cuprate(3-), diaqua(mu-((3,3'-((1,8-dihydroxy-4-sulfo-2,7-naphthalenediyl)bis(azo(3-sulfo-4,1-phenylene)azo))bis(6-((2,4,6-trihydroxyphenyl)azo)benzoato))(7-)))di-, trihydrogen
RN: 116917-19-2
InChIKey: QNLSJJUKYGEIAR-OORUPZGSSA-J

Molecular Formula

  • C48-H29-Cu2-N12-O23-S3.3H

Molecular Weight

  • 1368.13
 
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Names and Synonyms

Synonym

  • Diaqua(mu-((3,3'-((1,8-dihydroxy-4-sulfo-2,7-naphthalenediyl)bis(azo(3-sulfo-4,1-phenylene)azo))bis(6-((2,4,6-trihydroxyphenyl)azo)benzoato))(7-)))dicuprate(3-) trihydrogen

Systematic Name

  • Cuprate(3-), diaqua(mu-((3,3'-((1,8-dihydroxy-4-sulfo-2,7-naphthalenediyl)bis(azo(3-sulfo-4,1-phenylene)azo))bis(6-((2,4,6-trihydroxyphenyl)azo)benzoato))(7-)))di-, trihydrogen

Registry Numbers

CAS Registry Number

  • 116917-19-2

System Generated Number

  • 0116917192

Molecular Formulas

Molecular Formula

  • C48-H29-Cu2-N12-O23-S3.3H

Molecular Formula Fragments

  • C48-H29-Cu2-N12-O23-S3
  • COMPONENT
  • H

Structure Descriptors

InChI

1S/C48H32N12O21S3.2Cu.2H2O/c61-24-15-35(63)43(36(64)16-24)59-53-29-6-1-20(11-27(29)47(69)70)49-51-22-3-8-31(40(13-22)83(76,77)78)55-57-33-10-5-26-39(82(73,74)75)19-34(46(68)42(26)45(33)67)58-56-32-9-4-23(14-41(32)84(79,80)81)52-50-21-2-7-30(28(12-21)48(71)72)54-60-44-37(65)17-25(62)18-38(44)66;;;;/h1-19,61-68H,(H,69,70)(H,71,72)(H,73,74,75)(H,76,77,78)(H,79,80,81);;;2*1H2/q;2*+2;;/p-4/b51-49?,52-50?,57-55?,58-56?,59-53+,60-54+;;;;

InChIKey

QNLSJJUKYGEIAR-OORUPZGSSA-J

Smiles

[Cu+2].O.c1(\N=N/c2c(S(=O)(=O)O)cc(\N=N/c3ccc(\N=N\c4c(O)cc(O)cc4[O-])c(c3)C(=O)[O-])cc2)cc(c2c(c1O)c(O)c(cc2)\N=N/c1c(cc(cc1)\N=N/c1ccc(\N=N\c2c(cc(cc2[O-])O)O)c(c1)C(=O)[O-])S(=O)(=O)O)S(O)(=O)=O.[Cu+2].O