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Disodium cromproxate

HCID 181510
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Basic information

CAS
37092-38-9
Standard SMILES
O=C([O-])c1cc(=O)c2ccc(OCC(O)COc3ccc4c(=O)cc(C(=O)[O-])oc4c3)cc2o1.[Na+].[Na+]
InChIKey
HGYBWKSFVPDKOX-UHFFFAOYSA-L
Molecular formula
C23H14Na2O11
Average molar mass
512.3 g/mol
Monoisotopic mass
512.03314982

Names & identifiers

Preferred name
Disodium cromproxate
IUPAC
disodium;7-[3-(2-carboxylato-4-oxochromen-7-yl)oxy-2-hydroxypropoxy]-4-oxochromene-2-carboxylate

Names & synonyms

Disodium cromproxate37092-38-9DTXSID10190587RefChem:920489DTXCID50113078SCHEMBL29711088Disodium 7,7'-[(2-hydroxypropane-1,3-diyl)bis(oxy)]bis(4-oxo-4H-1-benzopyran-2-carboxylate)

Database identifiers

CAS
37092-38-9
PubChem CID
181510
DTXSID
DTXSID10190587
Nikkaji
J2.738.402A

Properties

Computed structural properties

Topological polar surface area
172 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
11
Rotatable bonds
6
Heavy atoms
36
Formal charge
0
Complexity
824

Related reactions

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Compound notes

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