Research chemical
CAS Number: 66418-17-5
![Cuprate(3-), [mu-[4-[2-[4'-[2-[6-amino-1-(hydroxy-kappaO)-3-sulfo-2-naphthalenyl]diazenyl-kappaN1]-3,3'-di(hydroxy-kappaO)[1,1'-biphenyl]-4-yl]diazenyl-kappaN1]-3-(hydroxy-kappaO)-2,7-naphthalenedisulfonato(7-)]]di-, sodium (1:3) molecular structure, CAS 66418-17-5](/structure-images/66418-17-5.png?v=struct-v2)
Product details
For laboratory research and professional procurement workflows.
PubChem CID
94618
Exact Mass
968.819176
InChIKey
ISIJQZDXBUUBMQ-UHFFFAOYSA-G
IUPAC Name
dicopper;trisodium;4-[[4-[4-[(6-amino-1-oxido-3-sulfonatonaphthalen-2-yl)diazenyl]-3-oxidophenyl]-2-oxidophenyl]diazenyl]-3-oxidonaphthalene-2,7-disulfonate
SMILES String
C1=CC(=C(C=C1C2=CC(=C(C=C2)N=NC3=C(C=C4C=C(C=CC4=C3[O-])N)S(=O)(=O)[O-])[O-])[O-])N=NC5=C6C=CC(=CC6=CC(=C5[O-])S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Cu+2].[Cu+2]
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.
Cuprate(3-), [mu-[4-[2-[4'-[2-[6-amino-1-(hydroxy-kappaO)-3-sulfo-2-naphthalenyl]diazenyl-kappaN1]-3,3'-di(hydroxy-kappaO)[1,1'-biphenyl]-4-yl]diazenyl-kappaN1]-3-(hydroxy-kappaO)-2,7-naphthalenedisulfonato(7-)]]di-, sodium (1:3) is identified by CAS 66418-17-5, with molecular formula C32H16Cu2N5Na3O13S3, molecular weight 970.8, InChIKey ISIJQZDXBUUBMQ-UHFFFAOYSA-G.
Yes. Submit an RFQ and specify COA requirements. Lot-specific COA depends on supplier confirmation.
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Ordering
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No physical property values available.
Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.
Heavy atom count
58
H-bond acceptors
18
H-bond donors
2
Rotatable bonds
8
Ring count
6
Aromatic rings
6
Topological polar surface area
339.3 Ų
Computed LogP
-5.91
Fragment-like structure rule
No
Lead-like structure rule
No
Drug-like structure rule
No
Structure family
transition metal catalyst or complex
Precious metal motif
No
Transition metal motif
Yes
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
80 g/mol, PubChem CID 94618.
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, transition-metal-containing structure.
Documentation needs
Review supplier documentation before handling; for research use only.
Safety and handling reference content is available through documentation requests.
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Availability, pack size, lead time, and pricing are confirmed through RFQ.
Submit the CAS number, quantity, purity requirement, and destination country for sourcing review.