Benzoic acid,2,2'-[(3,3'-dimethyl[1,1'-biphenyl]-4,4'-diyl)bis[imino[1-(1-hydroxyethylidene)-2-oxo-2,1-ethanediyl]azo]]bis[5-(acetylamino)-,disodium salt(9ci)

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CAS
94160-40-4
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Purity
96%
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Catalog Number

ACM94160404

Product Name

Benzoic acid,2,2'-[(3,3'-dimethyl[1,1'-biphenyl]-4,4'-diyl)bis[imino[1-(1-hydroxyethylidene)-2-oxo-2,1-ethanediyl]azo]]bis[5-(acetylamino)-,disodium salt(9ci)

Structure

CAS

94160-40-4

Category

Heterocyclic Organic Compound

Synonyms

EINECS 303-324-3, 94160-40-4, Disodium 2,2-((3,3-dimethyl(1,1-biphenyl)-4,4-diyl)bis(imino(1-(1-hydroxyethylidene)-2-oxoethylene)azo))bis(5-acetamidobenzoate)

IUPAC Name

disodium 5-acetamido-2-[(2E)-2-[1-[4-[4-[[(2E)-2-[(4-acetamido-2-carboxylatophenyl)hydrazinylidene]-3-oxobutanoyl]amino]-3-methylphenyl]-2-methylanilino]-1,3-dioxobutan-2-ylidene]hydrazinyl]benzoate

Molecular Weight

834.74098

Molecular Formula

C₄₀H₃₈N₈O₁₀.2Na

Canonical SMILES

CC1=C(C=CC(=C1)C2=CC(=C(C=C2)NC(=O)C(=NNC3=C(C=C(C=C3)NC(=O)C)C(=O)[O-])C(=O)C)C)NC(=O)C(=NNC4=C(C=C(C=C4)NC(=O)C)C(=O)[O-])C(=O)C.[Na+].[Na+]

InChI Key

GMWDMMICSYYYCF-AIFAXODGSA-L

EC Number

303-324-3

H-Bond Acceptor

H-Bond Donor