Disodium 5-[[4-[[[[4-[(4-chloro-3-sulfonatophenyl)azo]-2-ethoxy-5-tolyl]amino]carbonyl]amino]phenyl]azo]salicylate

Name: Disodium 5-[[4-[[[[4-[(4-chloro-3-sulfonatophenyl)azo]-2-ethoxy-5-tolyl]amino]carbonyl]amino]phenyl]azo]salicylate
SKU: ACM94088514
Rating: 5 (1 reviews)

CAS

94088-51-4

Catalog Number

ACM94088514

Category

Other Products

Molecular Weight

697.02586

Molecular Formula

C₂₉H₂₅ClN₆O₈S.2Na

COA MSDS SDS Spec Sheet

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Specification

Synonyms

EINECS 302-052-2, 94088-51-4, Disodium 5-((4-((((4-((4-chloro-3-sulphonatophenyl)azo)-2-ethoxy-5-tolyl)amino)carbonyl)amino)phenyl)azo)salicylate

IUPAC Name

disodium (3Z)-3-[[4-[[4-[(4-chloro-3-sulfonatophenyl)diazenyl]-2-ethoxy-5-methylphenyl]carbamoylamino]phenyl]hydrazinylidene]-6-oxocyclohexa-1,4-diene-1-carboxylate

SMILES

CCOC1=C(C=C(C(=C1)N=NC2=CC(=C(C=C2)Cl)S(=O)(=O)[O-])C)NC(=O)NC3=CC=C(C=C3)NN=C4C=CC(=O)C(=C4)C(=O)[O-].[Na+].[Na+]

InChI Key

HYHLVDXSVVOLSY-AVBNANDASA-L

EC Number

302-052-2

H-Bond Acceptor

H-Bond Donor

What is the molecular formula of Disodium 5-[[4-[[[[4-[(4-chloro-3-sulfonatophenyl)azo]-2-ethoxy-5-tolyl]amino]carbonyl]amino]phenyl]azo]salicylate?

The molecular formula is C29H23ClN6Na2O8S.

What are some synonyms for Disodium 5-[[4-[[[[4-[(4-chloro-3-sulfonatophenyl)azo]-2-ethoxy-5-tolyl]amino]carbonyl]amino]phenyl]azo]salicylate?

Some synonyms include Sodium 5-((4-(3-(4-((4-chloro-3-sulfonatophenyl)diazenyl)-2-ethoxy-5-methylphenyl)ureido)phenyl)diazenyl)-2-hydroxybenzoate.

When was Disodium 5-[[4-[[[[4-[(4-chloro-3-sulfonatophenyl)azo]-2-ethoxy-5-tolyl]amino]carbonyl]amino]phenyl]azo]salicylate created and modified in PubChem?

It was created on January 21, 2019, and modified on December 30, 2023.

What is the IUPAC name of Disodium 5-[[4-[[[[4-[(4-chloro-3-sulfonatophenyl)azo]-2-ethoxy-5-tolyl]amino]carbonyl]amino]phenyl]azo]salicylate?

The IUPAC name is disodium;5-[[4-[[4-[(4-chloro-3-sulfonatophenyl)diazenyl]-2-ethoxy-5-methylphenyl)carbamoylamino]phenyl]diazenyl]-2-hydroxybenzoate.

What is the Molecular Weight of Disodium 5-[[4-[[[[4-[(4-chloro-3-sulfonatophenyl)azo]-2-ethoxy-5-tolyl]amino]carbonyl]amino]phenyl]azo]salicylate?

The Molecular Weight is 697.0 g/mol.

What is the Canonical SMILES of Disodium 5-[[4-[[[[4-[(4-chloro-3-sulfonatophenyl)azo]-2-ethoxy-5-tolyl]amino]carbonyl]amino]phenyl]azo]salicylate?

The Canonical SMILES is CCOC1=C(C=C(C(=C1)N=NC2=CC(=C(C=C2)Cl)S(=O)(=O)[O-])C)NC(=O)NC3=CC=C(C=C3)N=NC4=CC(=C(C=C4)O)C(=O)[O-].[Na+].[Na+].

How many Hydrogen Bond Donor Count does Disodium 5-[[4-[[[[4-[(4-chloro-3-sulfonatophenyl)azo]-2-ethoxy-5-tolyl]amino]carbonyl]amino]phenyl]azo]salicylate have?

It has 3 Hydrogen Bond Donor Count.

What is the Rotatable Bond Count of Disodium 5-[[4-[[[[4-[(4-chloro-3-sulfonatophenyl)azo]-2-ethoxy-5-tolyl]amino]carbonyl]amino]phenyl]azo]salicylate?

The Rotatable Bond Count is 8.

How many Heavy Atoms are present in Disodium 5-[[4-[[[[4-[(4-chloro-3-sulfonatophenyl)azo]-2-ethoxy-5-tolyl]amino]carbonyl]amino]phenyl]azo]salicylate?

There are 47 Heavy Atoms.

What is the Topological Polar Surface Area of Disodium 5-[[4-[[[[4-[(4-chloro-3-sulfonatophenyl)azo]-2-ethoxy-5-tolyl]amino]carbonyl]amino]phenyl]azo]salicylate?

The Topological Polar Surface Area is 226 Å².

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