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Details

Stereochemistry ACHIRAL
Molecular Formula C30H18O10.4Na
Molecular Weight 630.417
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 4

SHOW SMILES / InChI
Structure of 4H-1-Benzopyran-4-one, 6-[5-(5,7-dihydroxy-4-oxo-4H-1-benzopyran-2-yl)-2-hydroxyphenyl]-5,7-dihydroxy-2-(4-hydroxyphenyl)-, tetrasodium salt

SMILES

[Na+].[Na+].[Na+].[Na+].OC1=CC=C(C=C1)C2=CC(=O)C3=C(O)C(=C(O)C=C3O2)C4=C(O)C=CC(=C4)C5=CC(=O)C6=C(O5)C=C(O)C=C6O

InChI

InChIKey=RFUMRBIAUHVLOJ-UHFFFAOYSA-N
InChI=1S/C30H18O10.4Na/c31-15-4-1-13(2-5-15)23-11-22(37)29-26(39-23)12-20(35)27(30(29)38)17-7-14(3-6-18(17)33)24-10-21(36)28-19(34)8-16(32)9-25(28)40-24;;;;/h1-12,31-35,38H;;;;/q;4*+1

HIDE SMILES / InChI

Molecular Formula Na
Molecular Weight 22.98976928
Charge 1
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C30H18O10
Molecular Weight 538.4579
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 17:39:58 GMT 2025
Edited
by admin
on Wed Apr 02 17:39:58 GMT 2025
Record UNII
Q65YFC75AC
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
4H-1-Benzopyran-4-one, 6-[5-(5,7-dihydroxy-4-oxo-4H-1-benzopyran-2-yl)-2-hydroxyphenyl]-5,7-dihydroxy-2-(4-hydroxyphenyl)-, tetrasodium salt
Systematic Name English
4H-1-Benzopyran-4-one, 6-[5-(5,7-dihydroxy-4-oxo-4H-1-benzopyran-2-yl)-2-hydroxyphenyl]-5,7-dihydroxy-2-(4-hydroxyphenyl)-, sodium salt (1:4)
Preferred Name English
Code System Code Type Description
FDA UNII
Q65YFC75AC
Created by admin on Wed Apr 02 17:39:58 GMT 2025 , Edited by admin on Wed Apr 02 17:39:58 GMT 2025
PRIMARY
PUBCHEM
22459266
Created by admin on Wed Apr 02 17:39:58 GMT 2025 , Edited by admin on Wed Apr 02 17:39:58 GMT 2025
PRIMARY
CAS
433301-79-2
Created by admin on Wed Apr 02 17:39:58 GMT 2025 , Edited by admin on Wed Apr 02 17:39:58 GMT 2025
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE