Tetrasodium 3,3-((3,3-diethoxy(1,1-biphenyl)-4,4-diyl)bis(azo))bis(5-(benzoylamino)-4-hydroxynaphthalene-2,7-disulphonate)

Name: Tetrasodium 3,3-((3,3-diethoxy(1,1-biphenyl)-4,4-diyl)bis(azo))bis(5-(benzoylamino)-4-hydroxynaphthalene-2,7-disulphonate)
SKU: ACM94200176
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CAS

94200-17-6

Catalog Number

ACM94200176

Category

Other Products

Molecular Weight

1229.06932

Molecular Formula

C₅₀H₃₆N₆Na₄O₁₈S₄

COA MSDS SDS Spec Sheet

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Specification

Synonyms

EINECS 303-493-3, 94200-17-6, Tetrasodium 3,3-((3,3-diethoxy(1,1-biphenyl)-4,4-diyl)bis(azo))bis(5-(benzoylamino)-4-hydroxynaphthalene-2,7-disulphonate)

IUPAC Name

tetrasodium (3Z)-5-benzamido-3-[[4-[4-[(2Z)-2-(8-benzamido-1-oxo-3,6-disulfonatonaphthalen-2-ylidene)hydrazinyl]-3-ethoxyphenyl]-2-ethoxyphenyl]hydrazinylidene]-4-oxonaphthalene-2,7-disulfonate

SMILES

CCOC1=C(C=CC(=C1)C2=CC(=C(C=C2)NN=C3C(=CC4=CC(=CC(=C4C3=O)NC(=O)C5=CC=CC=C5)S(=O)(=O)[O-])S(=O)(=O)[O-])OCC)NN=C6C(=CC7=CC(=CC(=C7C6=O)NC(=O)C8=CC=CC=C8)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+]

InChI Key

QHAZCZYIAIMHAL-NIIHLUPGSA-J

Density

g/cm³

EC Number

303-493-3

Exact Mass

1163.12000

H-Bond Acceptor

H-Bond Donor

What is the molecular formula of Tetrasodium 3,3-((3,3-diethoxy(1,1-biphenyl)-4,4-diyl)bis(azo))bis(5-(benzoylamino)-4-hydroxynaphthalene-2,7-disulphonate)?

The molecular formula is C50H36N6Na4O18S4.

When was Tetrasodium 3,3-((3,3-diethoxy(1,1-biphenyl)-4,4-diyl)bis(azo))bis(5-(benzoylamino)-4-hydroxynaphthalene-2,7-disulphonate) created?

It was created on January 21, 2019.

What is the IUPAC name of Tetrasodium 3,3-((3,3-diethoxy(1,1-biphenyl)-4,4-diyl)bis(azo))bis(5-(benzoylamino)-4-hydroxynaphthalene-2,7-disulphonate)?

The IUPAC name is tetrasodium;5-benzamido-3-[[4-[4-[(8-benzamido-1-hydroxy-3,6-disulfonatonaphthalen-2-yl)diazenyl]-3-ethoxyphenyl]-2-ethoxyphenyl]diazenyl]-4-hydroxynaphthalene-2,7-disulfonate.

What is the InChI of Tetrasodium 3,3-((3,3-diethoxy(1,1-biphenyl)-4,4-diyl)bis(azo))bis(5-(benzoylamino)-4-hydroxynaphthalene-2,7-disulphonate)?

The InChI is InChI=1S/C50H40N6O18S4.4Na/c1-3-73-39-21-29(15-17-35(39)53-55-45-41(77(67,68)69)23-31-19-33(75(61,62)63)25-37(43(31)47(45)57)51-49(59)27-11-7-5-8-12-27)30-16-18-36(40(22-30)74-4-2)54-56-46-42(78(70,71)72)24-32-20-34(76(64,65)66)26-38(44(32)48(46)58)52-50(60)28-13-9-6-10-14-28;;;;/h5-26,57-58H,3-4H2,1-2H3,(H,51,59)(H,52,60)(H,61,62,63)(H,64,65,66)(H,67,68,69)(H,70,71,72);;;;/q;4*+1/p-4.

What is the Canonical SMILES of Tetrasodium 3,3-((3,3-diethoxy(1,1-biphenyl)-4,4-diyl)bis(azo))bis(5-(benzoylamino)-4-hydroxynaphthalene-2,7-disulphonate)?

The Canonical SMILES is CCOC1=C(C=CC(=C1)C2=CC(=C(C=C2)N=NC3=C(C4=C(C=C(C=C4C=C3S(=O)(=O)[O-])S(=O)(=O)[O-])NC(=O)C5=CC=CC=C5)O)OCC)N=NC6=C(C7=C(C=C(C=C7C=C6S(=O)(=O)[O-])S(=O)(=O)[O-])NC(=O)C8=CC=CC=C8)O.[Na+].[Na+].[Na+].[Na+].

What is the molecular weight of Tetrasodium 3,3-((3,3-diethoxy(1,1-biphenyl)-4,4-diyl)bis(azo))bis(5-(benzoylamino)-4-hydroxynaphthalene-2,7-disulphonate)?

The molecular weight is 1229.1 g/mol.

How many hydrogen bond donor counts are there in Tetrasodium 3,3-((3,3-diethoxy(1,1-biphenyl)-4,4-diyl)bis(azo))bis(5-(benzoylamino)-4-hydroxynaphthalene-2,7-disulphonate)?

There are 4 hydrogen bond donor counts.

How many hydrogen bond acceptor counts are there in Tetrasodium 3,3-((3,3-diethoxy(1,1-biphenyl)-4,4-diyl)bis(azo))bis(5-(benzoylamino)-4-hydroxynaphthalene-2,7-disulphonate)?

There are 22 hydrogen bond acceptor counts.

What is the topological polar surface area of Tetrasodium 3,3-((3,3-diethoxy(1,1-biphenyl)-4,4-diyl)bis(azo))bis(5-(benzoylamino)-4-hydroxynaphthalene-2,7-disulphonate)?

The topological polar surface area is 429 Å².

How many rotatable bond counts are there in Tetrasodium 3,3-((3,3-diethoxy(1,1-biphenyl)-4,4-diyl)bis(azo))bis(5-(benzoylamino)-4-hydroxynaphthalene-2,7-disulphonate)?

There are 13 rotatable bond counts.

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