Structure

tetrasodium 2-[[4-[[4-[[1-hydroxy-6-(phenylamino)-3-sulphonato-2-naphthyl]azo]-7-sulphonato-1-naphthyl]azo]-1-naphthyl]azo]benzene-1,4-disulphonate

CAS
6428-58-6
Catalog Number
ACM6428586
Category
Direct Dyes
Molecular Weight
1055.90608
Molecular Formula
C42H25N7Na4O13S4

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Specification

Synonyms
tetrasodium 2-[[4-[[4-[[1-hydroxy-6-(phenylamino)-3-sulphonato-2-naphthyl]azo]-7-sulphonato-1-naphthyl]azo]-1-naphthyl]azo]benzene-1,4-disulphonate;Direct Blue 70;Direct blue 70 (C.I. 34205);1,4-Benzenedisulfonic acid, 2-[[4-[[4-[[1-hydroxy-6-( phenylam
IUPAC Name
tetrasodium 2-[[4-[[4-[(2E)-2-(6-anilino-1-oxo-3-sulfonatonaphthalen-2-ylidene)hydrazinyl]-7-sulfonatonaphthalen-1-yl]diazenyl]naphthalen-1-yl]diazenyl]benzene-1,4-disulfonate
SMILES
C1=CC=C(C=C1)NC2=CC3=C(C=C2)C(=O)C(=NNC4=C5C=CC(=CC5=C(C=C4)N=NC6=CC=C(C7=CC=CC=C76)N=NC8=C(C=CC(=C8)S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-])C(=C3)S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+]
InChI Key
BHZCJKAHASQGCX-MNACUSLPSA-J
EC Number
229-210-2
Exact Mass
1055.00000
H-Bond Acceptor
20
H-Bond Donor
2
What is the molecular formula of tetrasodium 2-[[4-[[4-[[1-hydroxy-6-(phenylamino)-3-sulphonato-2-naphthyl]azo]-7-sulphonato-1-naphthyl]azo]-1-naphthyl]azo]benzene-1,4-disulphonate?

The molecular formula is C42H25N7Na4O13S4.

What are some synonyms for tetrasodium 2-[[4-[[4-[[1-hydroxy-6-(phenylamino)-3-sulphonato-2-naphthyl]azo]-7-sulphonato-1-naphthyl]azo]-1-naphthyl]azo]benzene-1,4-disulphonate?

Some synonyms include 6428-58-6 and EINECS 229-210-2.

What is the molecular weight of tetrasodium 2-[[4-[[4-[[1-hydroxy-6-(phenylamino)-3-sulphonato-2-naphthyl]azo]-7-sulphonato-1-naphthyl]azo]-1-naphthyl]azo]benzene-1,4-disulphonate?

The molecular weight is 1055.9 g/mol.

What is the IUPAC name of tetrasodium 2-[[4-[[4-[[1-hydroxy-6-(phenylamino)-3-sulphonato-2-naphthyl]azo]-7-sulphonato-1-naphthyl]azo]-1-naphthyl]azo]benzene-1,4-disulphonate?

The IUPAC name is tetrasodium;2-[[4-[[4-[(6-anilino-1-hydroxy-3-sulfonatonaphthalen-2-yl)diazenyl]-7-sulfonatonaphthalen-1-yl]diazenyl]naphthalen-1-yl]diazenyl]benzene-1,4-disulfonate.

What is the InChI of tetrasodium 2-[[4-[[4-[[1-hydroxy-6-(phenylamino)-3-sulphonato-2-naphthyl]azo]-7-sulphonato-1-naphthyl]azo]-1-naphthyl]azo]benzene-1,4-disulphonate?

The InChI is InChI=1S/C42H29N7O13S4.4Na/c50-42-29-13-10-26(43-25-6-2-1-3-7-25)20-24(29)21-40(66(60,61)62)41(42)49-47-36-17-18-37(33-22-27(63(51,52)53)11-14-32(33)36)46-44-34-15-16-35(31-9-5-4-8-30(31)34)45-48-38-23-28(64(54,55)56)12-19-39(38)65(57,58)59;;;;/h1-23,43,50H,(H,51,52,53)(H,54,55,56)(H,57,58,59)(H,60,61,62);;;;/q;4*+1/p-4.

What is the InChIKey of tetrasodium 2-[[4-[[4-[[1-hydroxy-6-(phenylamino)-3-sulphonato-2-naphthyl]azo]-7-sulphonato-1-naphthyl]azo]-1-naphthyl]azo]benzene-1,4-disulphonate?

The InChIKey is GFHXFXWHOQSKNA-UHFFFAOYSA-J.

What is the canonical SMILES representation of tetrasodium 2-[[4-[[4-[[1-hydroxy-6-(phenylamino)-3-sulphonato-2-naphthyl]azo]-7-sulphonato-1-naphthyl]azo]-1-naphthyl]azo]benzene-1,4-disulphonate?

The canonical SMILES is C1=CC=C(C=C1)NC2=CC3=CC(=C(C(=C3C=C2)O)N=NC4=C5C=CC(=CC5=C(C=C4)N=NC6=CC=C(C7=CC=CC=C76)N=NC8=C(C=CC(=C8)S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+].

What is the CAS number of tetrasodium 2-[[4-[[4-[[1-hydroxy-6-(phenylamino)-3-sulphonato-2-naphthyl]azo]-7-sulphonato-1-naphthyl]azo]-1-naphthyl]azo]benzene-1,4-disulphonate?

The CAS number is 6428-58-6.

How many hydrogen bond donor counts does tetrasodium 2-[[4-[[4-[[1-hydroxy-6-(phenylamino)-3-sulphonato-2-naphthyl]azo]-7-sulphonato-1-naphthyl]azo]-1-naphthyl]azo]benzene-1,4-disulphonate have?

It has 2 hydrogen bond donor counts.

What is the topological polar surface area of tetrasodium 2-[[4-[[4-[[1-hydroxy-6-(phenylamino)-3-sulphonato-2-naphthyl]azo]-7-sulphonato-1-naphthyl]azo]-1-naphthyl]azo]benzene-1,4-disulphonate?

The topological polar surface area is 369 Ų.

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