1-Butanaminium, N-[4-[[4-[butyl(2-sulfoethyl)amino]phenyl][4-[(4-ethoxyphenyl)amino]phenyl]methylene]-2,5-cyclohexadien-1-ylidene]-N-(2-sulfoethyl)-, inner salt, sodium salt (1:1)

CAS Registry Number®

5863-47-8
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CAS Name

1-Butanaminium, N-[4-[[4-[butyl(2-sulfoethyl)amino]phenyl][4-[(4-ethoxyphenyl)amino]phenyl]methylene]-2,5-cyclohexadien-1-ylidene]-N-(2-sulfoethyl)-, inner salt, sodium salt (1:1)

Molecular Formula

C39H49N3O7S2.Na

Cite this Page

1-Butanaminium, N-[4-[[4-[butyl(2-sulfoethyl)amino]phenyl][4-[(4-ethoxyphenyl)amino]phenyl]methylene]-2,5-cyclohexadien-1-ylidene]-N-(2-sulfoethyl)-, inner salt, sodium salt (1:1).   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=5863-47-8 (retrieved 2024-09-21) (CAS RN: 5863-47-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C39H49N3O7S2.Na/c1-4-7-25-41(27-29-50(43,44)45)36-19-11-32(12-20-36)39(31-9-15-34(16-10-31)40-35-17-23-38(24-18-35)49-6-3)33-13-21-37(22-14-33)42(26-8-5-2)28-30-51(46,47)48;/h9-24H,4-8,25-30H2,1-3H3,(H2,43,44,45,46,47,48);

InChIKey

InChIKey=XDIVFBMCQNWCDD-UHFFFAOYSA-N

SMILES

C(C1=CC=C(N(CCS(=O)(=O)O)CCCC)C=C1)(=C2C=CC(=[N+](CCS(=O)(=O)[O-])CCCC)C=C2)C3=CC=C(NC4=CC=C(OCC)C=C4)C=C3.[Na]

Canonical SMILES

[Na].O=S(=O)([O-])CC[N+](=C1C=CC(C=C1)=C(C2=CC=C(C=C2)NC3=CC=C(OCC)C=C3)C4=CC=C(C=C4)N(CCCC)CCS(=O)(=O)O)CCCC

Other Names for this Substance

  • 1-Butanaminium, N-[4-[[4-[butyl(2-sulfoethyl)amino]phenyl][4-[(4-ethoxyphenyl)amino]phenyl]methylene]-2,5-cyclohexadien-1-ylidene]-N-(2-sulfoethyl)-, inner salt, sodium salt (1:1)
  • C.I. Acid Blue 100, monosodium salt
  • C.I. Acid Blue 100
  • 1-Butanaminium, N-[4-[[4-[butyl(2-sulfoethyl)amino]phenyl][4-[(4-ethoxyphenyl)amino]phenyl]methylene]-2,5-cyclohexadien-1-ylidene]-N-(2-sulfoethyl)-, hydroxide, inner salt, monosodium salt
  • 1-Butanaminium, N-[4-[[4-[butyl(2-sulfoethyl)amino]phenyl][4-[(4-ethoxyphenyl)amino]phenyl]methylene]-2,5-cyclohexadien-1-ylidene]-N-(2-sulfoethyl)-, inner salt, monosodium salt

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