Iodophthalein sodium

disodium;2-[(3,5-diiodo-4-oxidophenyl)-(3,5-diiodo-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]benzoate

CAS: 2217-44-9

Molecular Formula	`C20H8I4Na2O4`
Molecular Weight	865.9 g/mol
Topological Polar Surface Area	80.3 A2
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	4
Rotatable Bonds	2
Exact Mass	865.6397
Heavy Atoms	30
Complexity	675.0

Chemical Identifiers

CAS Number	2217-44-9
SMILES	`C1=CC=C(C(=C1)C(=C2C=C(C(=O)C(=C2)I)I)C3=CC(=C(C(=C3)I)[O-])I)C(=O)[O-].[Na+].[Na+]`
InChIKey	`CWHBCTLVWOCMPQ-UHFFFAOYSA-L`

📖 Product Overview

Iodophthalein sodium (CAS: 2217-44-9) is a chemical compound with molecular formula C20H8I4Na2O4 and molecular weight 865.9 g/mol. Its IUPAC systematic name is disodium;2-[(3,5-diiodo-4-oxidophenyl)-(3,5-diiodo-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]benzoate. Topological Polar Surface Area 80.3 A2 Hydrogen Bond Donors 0 Hydrogen Bond Acceptors 4 Rotatable Bonds 2 Exact Mass 865.6397 Heavy Atoms 30 Complexity 675.0 InChI Key: CWHBCTLVWOCMPQ-UHFFFAOYSA-L. SMILES: C1=CC=C(C(=C1)C(=C2C=C(C(=O)C(=C2)I)I)C3=CC(=C(C(=C3)I)[O-])I)C(=O)[O-].[Na+].[Na+].

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