Tetrasodium 3-((4-((8-((1-((anilino)carbonyl)-2-oxopropyl)azo)-1-hydroxy-3,6-disulphonato-2-naphthyl)azo)naphthyl)azo)naphthalene-1,5-disulphonate

Name: Tetrasodium 3-((4-((8-((1-((anilino)carbonyl)-2-oxopropyl)azo)-1-hydroxy-3,6-disulphonato-2-naphthyl)azo)naphthyl)azo)naphthalene-1,5-disulphonate
SKU: ACM94134517
Rating: 5 (1 reviews)

CAS

94134-51-7

Catalog Number

ACM94134517

Category

Other Products

Molecular Weight

1063.88348

Molecular Formula

C₄₀H₂₅N₇Na₄O₁₅S₄

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Specification

Synonyms

EINECS 302-820-7, 94134-51-7, Tetrasodium 3-((4-((8-((1-((anilino)carbonyl)-2-oxopropyl)azo)-1-hydroxy-3,6-disulphonato-2-naphthyl)azo)naphthyl)azo)naphthalene-1,5-disulphonate

IUPAC Name

tetrasodium (3Z)-5-[(1-anilino-1,3-dioxobutan-2-yl)diazenyl]-3-[[4-[(4,8-disulfonatonaphthalen-2-yl)diazenyl]naphthalen-1-yl]hydrazinylidene]-4-oxonaphthalene-2,7-disulfonate

Canonical SMILES

CC(=O)C(C(=O)NC1=CC=CC=C1)N=NC2=C3C(=CC(=C2)S(=O)(=O)[O-])C=C(C(=NNC4=CC=C(C5=CC=CC=C54)N=NC6=CC(=C7C=CC=C(C7=C6)S(=O)(=O)[O-])S(=O)(=O)[O-])C3=O)S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+]

InChI Key

VULLJKNGOGGKKB-ULNCFMEVSA-J

Density

g/cm³

EC Number

302-820-7

H-Bond Acceptor

H-Bond Donor

What is the molecular formula of Tetrasodium 3-((4-((8-((1-((anilino)carbonyl)-2-oxopropyl)azo)-1-hydroxy-3,6-disulphonato-2-naphthyl)azo)naphthyl)azo)naphthalene-1,5-disulphonate?

The molecular formula is C40H25N7Na4O15S4.

When was Tetrasodium 3-((4-((8-((1-((anilino)carbonyl)-2-oxopropyl)azo)-1-hydroxy-3,6-disulphonato-2-naphthyl)azo)naphthyl)azo)naphthalene-1,5-disulphonate created and modified?

It was created on 2019-01-18 and modified on 2023-12-30.

What is the IUPAC name of Tetrasodium 3-((4-((8-((1-((anilino)carbonyl)-2-oxopropyl)azo)-1-hydroxy-3,6-disulphonato-2-naphthyl)azo)naphthyl)azo)naphthalene-1,5-disulphonate?

The IUPAC name is tetrasodium;5-[(1-anilino-1,3-dioxobutan-2-yl)diazenyl]-3-[[4-[(4,8-disulfonatonaphthalen-2-yl)diazenyl]naphthalen-1-yl]diazenyl]-4-hydroxynaphthalene-2,7-disulfonate.

What is the Canonical SMILES for Tetrasodium 3-((4-((8-((1-((anilino)carbonyl)-2-oxopropyl)azo)-1-hydroxy-3,6-disulphonato-2-naphthyl)azo)naphthyl)azo)naphthalene-1,5-disulphonate?

The Canonical SMILES is CC(=O)C(C(=O)NC1=CC=CC=C1)N=NC2=C3C(=CC(=C2)S(=O)(=O)[O-])C=C(C(=C3O)N=NC4=CC=C(C5=CC=CC=C54)N=NC6=CC7=C(C=CC=C7S(=O)(=O)[O-])C(=C6)S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+]

What is the molecular weight of Tetrasodium 3-((4-((8-((1-((anilino)carbonyl)-2-oxopropyl)azo)-1-hydroxy-3,6-disulphonato-2-naphthyl)azo)naphthyl)azo)naphthalene-1,5-disulphonate?

The molecular weight is 1063.9 g/mol.

How many hydrogen bond donor counts are there in Tetrasodium 3-((4-((8-((1-((anilino)carbonyl)-2-oxopropyl)azo)-1-hydroxy-3,6-disulphonato-2-naphthyl)azo)naphthyl)azo)naphthalene-1,5-disulphonate?

There are 2 hydrogen bond donor counts.

What is the hydrogen bond acceptor count for Tetrasodium 3-((4-((8-((1-((anilino)carbonyl)-2-oxopropyl)azo)-1-hydroxy-3,6-disulphonato-2-naphthyl)azo)naphthyl)azo)naphthalene-1,5-disulphonate?

The hydrogen bond acceptor count is 21.

What is the topological polar surface area of Tetrasodium 3-((4-((8-((1-((anilino)carbonyl)-2-oxopropyl)azo)-1-hydroxy-3,6-disulphonato-2-naphthyl)azo)naphthyl)azo)naphthalene-1,5-disulphonate?

The topological polar surface area is 403 Å².

How many heavy atoms are present in Tetrasodium 3-((4-((8-((1-((anilino)carbonyl)-2-oxopropyl)azo)-1-hydroxy-3,6-disulphonato-2-naphthyl)azo)naphthyl)azo)naphthalene-1,5-disulphonate?

There are 70 heavy atoms.

What is the formal charge of Tetrasodium 3-((4-((8-((1-((anilino)carbonyl)-2-oxopropyl)azo)-1-hydroxy-3,6-disulphonato-2-naphthyl)azo)naphthyl)azo)naphthalene-1,5-disulphonate?

The formal charge is 0.