Benzenemethanaminium, N-[4-[(2-chlorophenyl)[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®

5863-51-4

CAS Name

Benzenemethanaminium, N-[4-[(2-chlorophenyl)[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

C39H39ClN2O6S2.Na

Cite this Page

Benzenemethanaminium, N-[4-[(2-chlorophenyl)[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=5863-51-4 (retrieved 2024-11-25) (CAS RN: 5863-51-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C39H39ClN2O6S2.Na/c1-5-41(25-29-11-9-13-33(23-29)49(43,44)45)31-17-19-35(27(3)21-31)39(37-15-7-8-16-38(37)40)36-20-18-32(22-28(36)4)42(6-2)26-30-12-10-14-34(24-30)50(46,47)48;/h7-24H,5-6,25-26H2,1-4H3,(H-,43,44,45,46,47,48);

InChIKey

InChIKey=OGQLRVTWTZRPBK-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=C(Cl)C=CC=C5.[Na]

Canonical SMILES

[Na].O=S(=O)([O-])C=1C=CC=C(C1)C[N+](=C2C=CC(C(=C2)C)=C(C=3C=CC=CC3Cl)C4=CC=C(C=C4C)N(CC5=CC=CC(=C5)S(=O)(=O)O)CC)CC

Other Names for this Substance

  • Benzenemethanaminium, N-[4-[(2-chlorophenyl)[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 Green 22
  • C.I. Acid Green 22, sodium salt
  • Benzenemethanaminium, N-[4-[(2-chlorophenyl)[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-[(2-chlorophenyl)[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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