Research chemical
CAS Number: 69178-37-6
![2H-Naphtho[1,2-d]triazole-5-sulfonic acid, 2-[4-[2-(4-nitro-2-sulfophenyl)ethenyl]-3-sulfophenyl]-, trisodium salt molecular structure, CAS 69178-37-6](/structure-images/69178-37-6.png?v=struct-v2)
Product details
For laboratory research and professional procurement workflows.
PubChem CID
172397
Exact Mass
697.943604
InChIKey
SMGMFTGDFISQCE-UHFFFAOYSA-K
IUPAC Name
trisodium;2-[4-[2-(4-nitro-2-sulfonatophenyl)ethenyl]-3-sulfonatophenyl]benzo[e]benzotriazole-5-sulfonate
SMILES String
C1=CC=C2C(=C1)C(=CC3=NN(N=C23)C4=CC(=C(C=C4)C=CC5=C(C=C(C=C5)[N+](=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+]
No physical property values available.
Catalog navigation
Other public CAS pages in this catalog. These links support navigation across additional intermediates and do not imply equivalence, availability, or shared use.
2H-Naphtho[1,2-d]triazole-5-sulfonic acid, 2-[4-[2-(4-nitro-2-sulfophenyl)ethenyl]-3-sulfophenyl]-, trisodium salt is identified by CAS 69178-37-6, with molecular formula C24H13N4Na3O11S3, molecular weight 698.6, InChIKey SMGMFTGDFISQCE-UHFFFAOYSA-K.
Yes. Submit an RFQ and specify COA requirements. Lot-specific COA depends on supplier confirmation.
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Submit the CAS number, quantity, purity requirement, and destination country for sourcing review.
Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.
Heavy atom count
45
H-bond acceptors
15
H-bond donors
0
Rotatable bonds
7
Ring count
5
Aromatic rings
5
Topological polar surface area
245.45 Ų
Computed LogP
-6.62
Fragment-like structure rule
No
Lead-like structure rule
No
Drug-like structure rule
No
Structure family
n heterocycle ligand
Precious metal motif
No
Transition metal motif
No
Phosphine ligand motif
No
N-heterocycle motif
Yes
Boronic acid motif
No
Computed structure descriptors generated from molecular structure. These are not experimental physical property values, supplier specifications, SDS data, or bioactivity claims.
Structural features
2H-Naphtho[1,2-d]triazole-5-sulfonic acid, 2-[4-[2-(4-nitro-2-sulfophenyl)ethenyl]-3-sulfophenyl]-, trisodium salt (CAS 69178-37-6) is maintained as a commercial cas reference with formula C24H13N4Na3O11S3, molecular weight 698. 60 g/mol, PubChem CID 172397.
Sourcing context
Catalog reference for RFQ preparation, supplier confirmation, and research chemical sourcing review.
Research use context
Use this page for CAS identity lookup, internal catalog search, and commercial discovery workflows; structure-derived tags include nitrogen-containing heterocycle.
Documentation needs
Review supplier documentation before handling; for research use only.
Safety and handling reference content is available through documentation requests.
For supplier-issued SDS, request documentation before handling, storage, shipment, or procurement decisions.