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Substance Name: EINECS 263-484-4
RN: 62271-30-1
InChIKey: VAIVMOXVXZCIGB-YXHFIHSMSA-J

Molecular Formula

  • C40-H21-Cu2-N5-O16-S3.4H

Molecular Weight

  • 1054.9465
 
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Names and Synonyms

Results Name

  • EINECS 263-484-4

Synonym

  • EINECS 263-484-4

Systematic Name

  • Tetrahydrogen (mu-((4-((6-((3,3'-dihydroxy-4'-((1-hydroxy-3,8-disulpho-2-naphthyl)azo)(1,1'-biphenyl)-4-yl)azo)-5-hydroxy-7-sulpho-2-naphthyl)amino)phenoxy)acetato(8-)))dicuprate(4-)

Registry Numbers

CAS Registry Number

  • 62271-30-1

System Generated Number

  • 0062271301

Molecular Formulas

Molecular Formula

  • C40-H21-Cu2-N5-O16-S3.4H

Molecular Formula Fragments

  • C40-H21-Cu2-N5-O16-S3
  • COMPONENT
  • H

Structure Descriptors

InChI

1S/C40H29N5O16S3.2Cu/c46-30-15-20(21-5-13-29(31(47)16-21)43-45-38-33(63(55,56)57)17-22-2-1-3-32(62(52,53)54)36(22)40(38)51)4-12-28(30)42-44-37-34(64(58,59)60)18-23-14-25(8-11-27(23)39(37)50)41-24-6-9-26(10-7-24)61-19-35(48)49;;/h1-18,41,46-47,50-51H,19H2,(H,48,49)(H,52,53,54)(H,55,56,57)(H,58,59,60);;/q;2*+2/p-4/b44-42-,45-43?;;

InChIKey

VAIVMOXVXZCIGB-YXHFIHSMSA-J

Smiles

[O-]C(=O)COc1ccc(Nc2ccc3c4O[Cu]Oc5cc(ccc5N=Nc4c(cc3c2)S(=O)(=O)[O-])c6ccc7N=Nc8c(O[Cu]Oc7c6)c9c(cccc9cc8S(=O)(=O)[O-])S(=O)(=O)[O-])cc1