Disodium 7,7'-iminobis(3-((4-(acetylamino)phenyl)azo)-4-hydroxynaphthalene-2-sulphonate)

HCID 136146366

Notes Reactions

Substructure search Find similar structures

Basic information

CAS: 94944-84-0
Standard SMILES: CC(=O)Nc1ccc(N=Nc2c(S(=O)(=O)[O-])cc3cc(Nc4ccc5c(O)c(N=Nc6ccc(NC(C)=O)cc6)c(S(=O)(=O)[O-])cc5c4)ccc3c2O)cc1.[Na+].[Na+]
InChIKey: RMPJYFDIJFDFEQ-UHFFFAOYSA-L
Molecular formula: C36H27N7Na2O10S2
Average molar mass: 827.8 g/mol
Monoisotopic mass: 827.10562099

Names & identifiers

Preferred name: Disodium 7,7'-iminobis(3-((4-(acetylamino)phenyl)azo)-4-hydroxynaphthalene-2-sulphonate)
IUPAC: disodium;3-[(4-acetamidophenyl)diazenyl]-7-[[6-[(4-acetamidophenyl)diazenyl]-5-hydroxy-7-sulfonatonaphthalen-2-yl]amino]-4-hydroxynaphthalene-2-sulfonate
English name: disodium 7,7'-iminobis[3-[[4-(acetylamino)phenyl]azo]-4-hydroxynaphthalene-2-sulphonate]
Molecular formula: C36H27N7Na2O10S2
Molecular weight: 827.75002

Names & synonyms

EINECS 305-662-794944-84-0Disodium 7,7'-iminobis(3-((4-(acetylamino)phenyl)azo)-4-hydroxynaphthalene-2-sulphonate)DTXSID401383489NS000665902-Naphthalenesulfonic acid, 7,7a(2)-iminobis[3-[[4-(acetylamino)phenyl]azo]-4-hydroxy-, disodium saltdisodium 7,7'-iminobis[3-[[4-(acetylamino)phenyl]azo]-4-hydroxynaphthalene-2-sulphonate]7,7'-Iminobis[3-[[4-(acetylamino)phenyl]azo]-4-hydroxy-2-naphthalenesulfonic acid sodium] salt3-[(4-acetamidophenyl)hydrazinylidene]-7-[[6-[(4-acetamidophenyl)hydrazinylidene]-5-oxo-7-sulfonatonaphthalen-2-yl]amino]-4-oxonaphthalene-2-sulfonate

Database identifiers

CAS: 94944-84-0
PubChem CID: 136146366
DTXSID: DTXSID401383489
EC Number: 305-662-7

Properties

Computed structural properties

Topological polar surface area: 291 Å²
Hydrogen bond donors: 5
Hydrogen bond acceptors: 15
Rotatable bonds: 8
Heavy atoms: 57
Formal charge: 0
Complexity: 1,480

Related reactions

0 records

New reaction record

No reaction records under the current filter.

Compound notes

Loading…