C38H28N6O13S3.xNa structure

C38H28N6O13S3.xNa

trisodium;(3E)-7-[[(6Z)-6-[(2-methoxyphenyl)hydrazinylidene]-5-oxo-7-sulfonatonaphthalen-2-yl]carbamoylamino]-4-oxo-3-[(6-sulfonatonaphthalen-2-yl)hydrazinylidene]naphthalene-2-sulfonate

Also Known As: EINECS 233-309-6|EINECS 280-773-0|2-Naphthalenesulfonic acid, 4-hydroxy-7-[[[[5-hydroxy-6-[(2-methoxyphenyl)azo]-7-sulfo-2-naphthalenyl]amino]carbonyl]amino]-3-[(6-sulfo-2-naphthalenyl)azo]-, trisodium salt|2-Naphthalenesulfonic acid, 3-[(o-methoxyphenyl)azo]-3'-[(6-sulfo-2-naphthyl)azo]-7,7'-ureylenebis[4-hydroxy-, trisodium salt|2-Naphthalenesulfonic acid, 4-hydroxy-7-((((5-hydroxy-6-((2-methoxyphenyl)azo)-7-sulfo-2-naphthalenyl)amino)carbonyl)amino)-3-((6-sulfo-2-naphthalenyl)azo)-, trisodium salt|2-Naphthalenesulfonic acid, 4-hydroxy-7-((((5-hydroxy-6-(2-(2-methoxyphenyl)diazenyl)-7-sulfo-2-naphthalenyl)amino)carbonyl)amino)-3-(2-(6-sulfo-2-naphthalenyl)diazenyl)-, sodium salt (1:3)|4-Hydroxy-7-((((5-hydroxy-6-((2-methoxyphenyl)azo)-7-sulpho-2-naphthyl)amino)carbonyl)amino)-3-((6-sulpho-2-naphthyl)azo)naphthalene-2-sulphonic acid, sodium salt|4-hydroxy-7-[[[[5-hydroxy-6-[(2-methoxyphenyl)azo]-7-sulpho-2-naphthyl]amino]carbonyl]amino]-3-[(6-sulpho-2-naphthyl)azo]naphthalene-2-sulphonic acid, sodium salt|Trisodium 7-[[[[6-[(o-anisyl)azo]-5-hydroxy-7-sulphonato-2-naphthyl]amino]carbonyl]amino]-4-hydroxy-3-[(6-sulphonato-2-naphthyl)azo]naphthalene-2-sulphonate

CAS: 83763-84-2
Molecular Formula C38H25N6Na3O13S3
Molecular Weight 938.0335 g/mol
LogP -4.4905
Topological Polar Surface Area 304.88 Ų
Hydrogen Bond Donors 4
Hydrogen Bond Acceptors 17
Rotatable Bonds 10
Exact Mass 938.0335
Monoisotopic Mass 938.0335
Heavy Atoms 63
Complexity 3196.3193

Chemical Identifiers

CAS Number 83763-84-2
SMILES COC1=CC=CC=C1N/N=C/2\C(=CC3=C(C2=O)C=CC(=C3)NC(=O)NC4=CC5=C(C=C4)C(=O)/C(=N\NC6=CC7=C(C=C6)C=C(C=C7)S(=O)(=O)[O-])/C(=C5)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+]

Product Overview

C38H28N6O13S3.xNa (CAS 83763-84-2), with molecular formula C38H25N6Na3O13S3 and molecular weight 938.0335 g/mol. IUPAC: trisodium;(3E)-7-[[(6Z)-6-[(2-methoxyphenyl)hydrazinylidene]-5-oxo-7-sulfonatonaphthalen-2-yl]carbamoylamino]-4-oxo-3-[(6-sulfonatonaphthalen-2-yl)hydrazinylidene]naphthalene-2-sulfonate.

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