Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: EINECS 229-830-3
RN: 6771-82-0
InChIKey: IAPUUIHRIUMOQZ-LTBNBRGSSA-A

Molecular Formula

  • C39-H30-N8-O15-S4.4Na

Molecular Weight

  • 3048.6982
 
* denotes mobile formatted website

Links to Resources

NLM Resources (File Locators)

Other Resources (Internet Locators)


Search for this InChIKey on the Web

Names and Synonyms

Results Name

  • EINECS 229-830-3

Synonym

  • EINECS 229-830-3

Systematic Name

  • Tetrasodium 3-((4-((((4-((2-amino-8-hydroxy-6-sulphonato-1-naphthyl)azo)-3-sulphonatophenyl)amino)carbonyl)amino)-2-sulphonatophenyl)azo)-4-hydroxy-7-(phenylamino)naphthalene-2-sulphonate

Registry Numbers

CAS Registry Number

  • 6771-82-0

System Generated Number

  • 0006771820

Molecular Formulas

Molecular Formula

  • C39-H30-N8-O15-S4.4Na

Molecular Formula Fragments

  • C39-H30-N8-O15-S4
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C108H81N29O48S13.4Na/c109-65-18-6-47-30-60(186(147,148)149)42-77(138)90(47)96(65)131-123-70-23-11-53(35-82(70)191(162,163)164)115-105(143)114-52-10-22-69(81(34-52)190(159,160)161)122-130-95-64-46-89(198(183,184)185)100(135-127-74-27-15-57(39-86(74)195(174,175)176)119-106(144)116-54-12-24-71(83(36-54)192(165,166)167)124-132-97-66(110)19-7-48-31-61(187(150,151)152)43-78(139)91(48)97)101(136-128-75-28-16-58(40-87(75)196(177,178)179)120-107(145)117-55-13-25-72(84(37-55)193(168,169)170)125-133-98-67(111)20-8-49-32-62(188(153,154)155)44-79(140)92(49)98)94(64)102(113-51-4-2-1-3-5-51)104(142)103(95)137-129-76-29-17-59(41-88(76)197(180,181)182)121-108(146)118-56-14-26-73(85(38-56)194(171,172)173)126-134-99-68(112)21-9-50-33-63(189(156,157)158)45-80(141)93(50)99;;;;/h1-46,113,138-142H,109-112H2,(H2,114,115,143)(H2,116,119,144)(H2,117,120,145)(H2,118,121,146)(H,147,148,149)(H,150,151,152)(H,153,154,155)(H,156,157,158)(H,159,160,161)(H,162,163,164)(H,165,166,167)(H,168,169,170)(H,171,172,173)(H,174,175,176)(H,177,178,179)(H,180,181,182)(H,183,184,185);;;;/q;4*+1/p-13/b130-122+,131-123+,132-124+,133-125+,134-126+,135-127+,136-128+,137-129+;;;;

InChIKey

IAPUUIHRIUMOQZ-LTBNBRGSSA-A

Smiles

c1ccc(cc1)Nc2c3c(cc(c(c3/N=N/c4ccc(cc4S(=O)(=O)[O-])NC(=O)Nc5ccc(c(c5)S(=O)(=O)[O-])/N=N/c6c(ccc7c6c(cc(c7)S(=O)(=O)[O-])O)N)/N=N/c8ccc(cc8S(=O)(=O)[O-])NC(=O)Nc9ccc(c(c9)S(=O)(=O)[O-])/N=N/c1c(ccc3c1c(cc(c3)S(=O)(=O)[O-])O)N)S(=O)(=O)[O-])c(c(c2O)/N=N/c1ccc(cc1S(=O)(=O)[O-])NC(=O)Nc1ccc(c(c1)S(=O)(=O)[O-])/N=N/c1c(ccc2c1c(cc(c2)S(=O)(=O)[O-])O)N)/N=N/c1ccc(cc1S(=O)(=O)[O-])NC(=O)Nc1ccc(c(c1)S(=O)(=O)[O-])/N=N/c1c(ccc2c1c(cc(c2)S(=O)(=O)[O-])O)N.[Na+].[Na+].[Na+].[Na+]