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Substance Name: EINECS 241-769-4
RN: 17791-81-0
InChIKey: WBPUCWSCPXNMOA-XCOJKCHJSA-H

Molecular Formula

  • C60-H52-N16-O22-S6.6Na

Molecular Weight

  • 1673.45
 
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Names and Synonyms

Results Name

  • EINECS 241-769-4

Synonyms

  • C.I. Direct Red 227
  • EC 241-769-4
  • EINECS 241-769-4
  • Kayarus Light Rose FR

Systematic Names

  • 2,7-Naphthalenedisulfonic acid, 4,4'-(1,2-ethenediylbis((3-sulfo-4,1-phenylene)imino(6-(4-morpholinyl)-1,3,5-triazine-4,2-diyl)imino))bis(5-hydroxy-6-(2-phenyldiazenyl)-, sodium salt (1:6)
  • 2,7-Naphthalenedisulfonic acid, 4,4'-(1,2-ethenediylbis((3-sulfo-4,1-phenylene)imino(6-(4-morpholinyl)-1,3,5-triazine-4,2-diyl)imino))bis(5-hydroxy-6-(phenylazo)-, hexasodium salt
  • Hexasodium 4,4'-(vinylenebis((3-sulphonato-4,1-phenylene)imino(6-morpholino-1,3,5-triazine-4,2-diyl)imino))bis(5-hydroxy-6-(phenylazo)naphthalene-2,7-disulphonate)

Registry Numbers

CAS Registry Number

  • 17791-81-0

System Generated Number

  • 0017791810

Molecular Formulas

Molecular Formula

  • C60-H52-N16-O22-S6.6Na

Molecular Formula Fragments

  • C60-H52-N16-O22-S6
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C60H52N16O22S6.6Na/c77-53-49-35(27-47(103(91,92)93)51(53)73-71-37-7-3-1-4-8-37)25-41(99(79,80)81)31-43(49)63-57-65-55(67-59(69-57)75-17-21-97-22-18-75)61-39-15-13-33(45(29-39)101(85,86)87)11-12-34-14-16-40(30-46(34)102(88,89)90)62-56-66-58(70-60(68-56)76-19-23-98-24-20-76)64-44-32-42(100(82,83)84)26-36-28-48(104(94,95)96)52(54(78)50(36)44)74-72-38-9-5-2-6-10-38;;;;;;/h1-16,25-32,77-78H,17-24H2,(H,79,80,81)(H,82,83,84)(H,85,86,87)(H,88,89,90)(H,91,92,93)(H,94,95,96)(H2,61,63,65,67,69)(H2,62,64,66,68,70);;;;;;/q;6*+1/p-6/b12-11+,73-71+,74-72+;;;;;;

InChIKey

WBPUCWSCPXNMOA-XCOJKCHJSA-H

Smiles

C(=C\c1c(cc(cc1)Nc1nc(nc(n1)N1CCOCC1)Nc1cc(cc2cc(c(c(c12)O)\N=N\c1ccccc1)S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-])\c1c(cc(cc1)Nc1nc(nc(n1)N1CCOCC1)Nc1cc(cc2cc(c(c(c12)O)\N=N\c1ccccc1)S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+]