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Details

Stereochemistry ACHIRAL
Molecular Formula 2C21H13N2O3.Ca
Molecular Weight 722.757
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 2
Charge 0

SHOW SMILES / InChI
Structure of CALCIUM 4-(2-NAPHTHYLAZO)-3-HYDROXY-2-NAPHTHOATE

SMILES

[Ca++].OC1=C(C=C2C=CC=CC2=C1\N=N\C3=CC=C4C=CC=CC4=C3)C([O-])=O.OC5=C(C=C6C=CC=CC6=C5\N=N\C7=CC=C8C=CC=CC8=C7)C([O-])=O

InChI

InChIKey=HWOAJLZWWXHYHU-VLRLXQCYSA-L
InChI=1S/2C21H14N2O3.Ca/c2*24-20-18(21(25)26)12-15-7-3-4-8-17(15)19(20)23-22-16-10-9-13-5-1-2-6-14(13)11-16;/h2*1-12,24H,(H,25,26);/q;;+2/p-2/b2*23-22+;

HIDE SMILES / InChI

Molecular Formula C21H13N2O3
Molecular Weight 341.3395
Charge -1
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 1
Optical Activity NONE

Molecular Formula Ca
Molecular Weight 40.078
Charge 2
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 Sat Dec 16 11:19:33 GMT 2023
Edited
by admin
on Sat Dec 16 11:19:33 GMT 2023
Record UNII
Q45X01A55H
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
CALCIUM 4-(2-NAPHTHYLAZO)-3-HYDROXY-2-NAPHTHOATE
Common Name English
2-NAPHTHALENECARBOXYLIC ACID, 3-HYDROXY-4-(2-(2-NAPHTHALENYL)DIAZENYL)-, CALCIUM SALT (2:1)
Systematic Name English
2-NAPHTHOIC ACID, 3-HYDROXY-4-(2-NAPHTHYLAZO)-, CALCIUM SALT (2:1)
Systematic Name English
2-NAPHTHALENECARBOXYLIC ACID, 3-HYDROXY-4-(2-NAPHTHALENYLAZO)-, CALCIUM SALT (2:1)
Systematic Name English
Code System Code Type Description
CAS
17809-70-0
Created by admin on Sat Dec 16 11:19:33 GMT 2023 , Edited by admin on Sat Dec 16 11:19:33 GMT 2023
NON-SPECIFIC STEREOCHEMISTRY
PUBCHEM
109374046
Created by admin on Sat Dec 16 11:19:33 GMT 2023 , Edited by admin on Sat Dec 16 11:19:33 GMT 2023
PRIMARY
FDA UNII
Q45X01A55H
Created by admin on Sat Dec 16 11:19:33 GMT 2023 , Edited by admin on Sat Dec 16 11:19:33 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE