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Substance Name: EINECS 286-655-5
RN: 85305-16-4
InChIKey: NWTVTWZYABUKEL-WYFPCGBXSA-N

Molecular Formula

  • C39-H45-N13-O4-S2.x-C-H4-O3-S.x-C-H2-O2.x-Cl-H

Molecular Weight

  • 1002.5948
 
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Names and Synonyms

Results Name

  • EINECS 286-655-5

Synonym

  • EINECS 286-655-5

Systematic Name

  • 2-Naphthalenesulfonic acid, 7-((4,6-bis(4-(2-aminoethyl)-1-piperazinyl)-1,3,5-triazin-2-yl)amino)-4-hydroxy-3-((4-(6-methyl-2-benzothiazolyl)phenyl)azo)-, formate (salt) hydrochloride methanesulfonate (salt)

Registry Numbers

CAS Registry Number

  • 85305-16-4

System Generated Number

  • 0085305164

Molecular Formulas

Molecular Formula

  • C39-H45-N13-O4-S2.x-C-H4-O3-S.x-C-H2-O2.x-Cl-H

Molecular Formula Fragments

  • C-H2-O2
  • C-H4-O3-S
  • C39-H45-N13-O4-S2
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C39H45N13O4S2.CH4O3S.CH2O2.ClH/c1-25-2-9-31-32(22-25)57-36(43-31)26-3-5-28(6-4-26)47-48-34-33(58(54,55)56)24-27-23-29(7-8-30(27)35(34)53)42-37-44-38(51-18-14-49(12-10-40)15-19-51)46-39(45-37)52-20-16-50(13-11-41)17-21-52;1-5(2,3)4;2-1-3;/h2-9,22-24,53H,10-21,40-41H2,1H3,(H,54,55,56)(H,42,44,45,46);1H3,(H,2,3,4);1H,(H,2,3);1H/b48-47+;;;

InChIKey

NWTVTWZYABUKEL-WYFPCGBXSA-N

Smiles

Cc1ccc2c(c1)sc(n2)c3ccc(cc3)/N=N/c4c(cc5cc(ccc5c4O)Nc6nc(nc(n6)N7CCN(CC7)CCN)N8CCN(CC8)CCN)S(=O)(=O)O.CS(=O)(=O)O.C(=O)O.Cl