Benzenemethanaminium, N-[4-[[4-(diethylamino)phenyl][4-[ethyl[(3-sulfophenyl)methyl]amino]-2-methylphenyl]methylene]-3-methyl-2,5-cyclohexadien-1-ylidene]-N-ethyl-3-sulfo-, inner salt, sodium salt (1:1)

CAS Registry Number®

6505-30-2

CAS Name

Benzenemethanaminium, N-[4-[[4-(diethylamino)phenyl][4-[ethyl[(3-sulfophenyl)methyl]amino]-2-methylphenyl]methylene]-3-methyl-2,5-cyclohexadien-1-ylidene]-N-ethyl-3-sulfo-, inner salt, sodium salt (1:1)

Molecular Formula

C43H49N3O6S2.Na

Cite this Page

Benzenemethanaminium, N-[4-[[4-(diethylamino)phenyl][4-[ethyl[(3-sulfophenyl)methyl]amino]-2-methylphenyl]methylene]-3-methyl-2,5-cyclohexadien-1-ylidene]-N-ethyl-3-sulfo-, 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=6505-30-2 (retrieved 2024-11-26) (CAS RN: 6505-30-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C43H49N3O6S2.Na/c1-7-44(8-2)36-19-17-35(18-20-36)43(41-23-21-37(25-31(41)5)45(9-3)29-33-13-11-15-39(27-33)53(47,48)49)42-24-22-38(26-32(42)6)46(10-4)30-34-14-12-16-40(28-34)54(50,51)52;/h11-28H,7-10,29-30H2,1-6H3,(H-,47,48,49,50,51,52);

InChIKey

InChIKey=CNJALSVEFVZIRV-UHFFFAOYSA-N

SMILES

C(C1=C(C)C=C(N(CC2=CC(S(=O)(=O)O)=CC=C2)CC)C=C1)(=C3C(C)=CC(=[N+](CC4=CC(S(=O)(=O)[O-])=CC=C4)CC)C=C3)C5=CC=C(N(CC)CC)C=C5.[Na]

Canonical SMILES

[Na].O=S(=O)([O-])C=1C=CC=C(C1)C[N+](=C2C=CC(C(=C2)C)=C(C3=CC=C(C=C3)N(CC)CC)C4=CC=C(C=C4C)N(CC5=CC=CC(=C5)S(=O)(=O)O)CC)CC

Other Names for this Substance

  • Benzenemethanaminium, N-[4-[[4-(diethylamino)phenyl][4-[ethyl[(3-sulfophenyl)methyl]amino]-2-methylphenyl]methylene]-3-methyl-2,5-cyclohexadien-1-ylidene]-N-ethyl-3-sulfo-, inner salt, sodium salt (1:1)
  • C.I. Acid Blue 104
  • C.I. Acid Blue 104, sodium salt
  • Benzenemethanaminium, N-[4-[[4-(diethylamino)phenyl][4-[ethyl[(3-sulfophenyl)methyl]amino]-2-methylphenyl]methylene]-3-methyl-2,5-cyclohexadien-1-ylidene]-N-ethyl-3-sulfo-, hydroxide, inner salt, sodium salt
  • Benzenemethanaminium, N-[4-[[4-(diethylamino)phenyl][4-[ethyl[(3-sulfophenyl)methyl]amino]-2-methylphenyl]methylene]-3-methyl-2,5-cyclohexadien-1-ylidene]-N-ethyl-3-sulfo-, inner salt, sodium salt

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Deleted or Replaced CAS Registry Numbers

178966-14-8

CAS INSIGHTSTM
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