Benzenesulfonic acid,2-[[4-[[2-hydroxy-5-[(4-nitro-2-sulfophenyl)amino]phenyl]azo]phenyl]amino]-5-nitro-,disodium salt(9ci)

Name: Benzenesulfonic acid,2-[[4-[[2-hydroxy-5-[(4-nitro-2-sulfophenyl)amino]phenyl]azo]phenyl]amino]-5-nitro-,disodium salt(9ci)
SKU: ACM93803408
Rating: 5 (1 reviews)

CAS

93803-40-8

Catalog Number

ACM93803408

Category

Other Products

Molecular Weight

674.52698

Molecular Formula

C₂₄H₁₈N₆O₁₁S₂.2Na

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Specification

Synonyms

EINECS 298-311-1, CID11971135, 93803-40-8, Disodium 2-((4-((2-hydroxy-5-((4-nitro-2-sulphonatophenyl)amino)phenyl)azo)phenyl)amino)-5-nitrobenzenesulphonate

IUPAC Name

disodium 5-nitro-2-[4-[2-[3-(4-nitro-2-sulfonatophenyl)imino-6-oxocyclohexa-1,4-dien-1-yl]hydrazinyl]anilino]benzenesulfonate

Canonical SMILES

C1=CC(=CC=C1NC2=C(C=C(C=C2)[N+](=O)[O-])S(=O)(=O)[O-])NNC3=CC(=NC4=C(C=C(C=C4)[N+](=O)[O-])S(=O)(=O)[O-])C=CC3=O.[Na+].[Na+]

InChI Key

RLKGPSVPONWXQY-UHFFFAOYSA-L

Density

g/cm³

EC Number

298-311-1

Exact Mass

674.01100

H-Bond Acceptor

H-Bond Donor

What is the molecular formula of Benzenesulfonic acid, 2-[[4-[[2-hydroxy-5-[(4-nitro-2-sulfophenyl)amino]phenyl]azo]phenyl]amino]-5-nitro-, disodium salt(9ci)?

The molecular formula is C24H16N6Na2O11S2.

When was Benzenesulfonic acid, 2-[[4-[[2-hydroxy-5-[(4-nitro-2-sulfophenyl)amino]phenyl]azo]phenyl]amino]-5-nitro-, disodium salt(9ci) created according to PubChem?

It was created on January 17, 2019.

What is the IUPAC name of Benzenesulfonic acid, 2-[[4-[[2-hydroxy-5-[(4-nitro-2-sulfophenyl)amino]phenyl]azo]phenyl]amino]-5-nitro-, disodium salt(9ci)?

The IUPAC name is disodium; 2-[4-[[2-hydroxy-5-(4-nitro-2-sulfonatoanilino)phenyl]diazenyl]anilino]-5-nitrobenzenesulfonate.

What is the Canonical SMILES of Benzenesulfonic acid, 2-[[4-[[2-hydroxy-5-[(4-nitro-2-sulfophenyl)amino]phenyl]azo]phenyl]amino]-5-nitro-, disodium salt(9ci)?

The Canonical SMILES is C1=CC(=CC=C1NC2=C(C=C(C=C2)[N+](=O)[O-])S(=O)(=O)[O-])N=NC3=C(C=CC(=C3)NC4=C(C=C(C=C4)[N+](=O)[O-])S(=O)(=O)[O-])O.[Na+].[Na+].

What is the molecular weight of Benzenesulfonic acid, 2-[[4-[[2-hydroxy-5-[(4-nitro-2-sulfophenyl)amino]phenyl]azo]phenyl]amino]-5-nitro-, disodium salt(9ci)?

The molecular weight is 674.5 g/mol.

How many hydrogen bond donor counts are there in Benzenesulfonic acid, 2-[[4-[[2-hydroxy-5-[(4-nitro-2-sulfophenyl)amino]phenyl]azo]phenyl]amino]-5-nitro-, disodium salt(9ci)?

There are 3 hydrogen bond donor counts.

What is the hydrogen bond acceptor count in Benzenesulfonic acid, 2-[[4-[[2-hydroxy-5-[(4-nitro-2-sulfophenyl)amino]phenyl]azo]phenyl]amino]-5-nitro-, disodium salt(9ci)?

The hydrogen bond acceptor count is 15.

What is the topological polar surface area of Benzenesulfonic acid, 2-[[4-[[2-hydroxy-5-[(4-nitro-2-sulfophenyl)amino]phenyl]azo]phenyl]amino]-5-nitro-, disodium salt(9ci)?

The topological polar surface area is 292 Å².

How many heavy atoms are present in the compound Benzenesulfonic acid, 2-[[4-[[2-hydroxy-5-[(4-nitro-2-sulfophenyl)amino]phenyl]azo]phenyl]amino]-5-nitro-, disodium salt(9ci)?

There are 45 heavy atoms.

Is the compound Benzenesulfonic acid, 2-[[4-[[2-hydroxy-5-[(4-nitro-2-sulfophenyl)amino]phenyl]azo]phenyl]amino]-5-nitro-, disodium salt(9ci) canonicalized?

Yes, the compound is canonicalized.