CAS 1655-45-4|disodium 2,6-naphthalenedisulfonate|disodium naphthalene-2,6-disulfonate|Disodium naphthalene-2,6-disulphonate|Naphthalene-2,6-disulphonic acid disodium salt|Naphthalene-2,6-disulphoni...

General Information

Structure

Molecular Formula

C₁₀H₆Na₂O₆S₂

Molecular Mass

332.26058

Exact Mass

331.94011847

Charge

InChI

InChI=1S/C10H8O6S2.2Na/c11-17(12,13)9-3-1-7-5-10(18(14,15)16)4-2-8(7)6-9;;/h1-6H,(H,11,12,13)(H,14,15,16);;/q;2*+1/p-2

InChIKey

WZZLWPIYWZEJOX-UHFFFAOYSA-L

Canonic Smiles

[O-]S(=O)(=O)c1ccc2c(c1)ccc(c2)S(=O)(=O)[O-].[Na+].[Na+]

Isomeric Smiles

S(=O)(=O)(c1cc2ccc(cc2cc1)S(=O)(=O)[O-])[O-].[Na+].[Na+]

Calculated Properties

JChem

Acid pKa

-2.768554

H Acceptors

H Donor

LogD (pH = 5.5)

-3.4282582

LogD (pH = 7.4)

-3.4282615

Log P

1.324536

Molar Refractivity

61.5098

Polarizability

26.88468

Polar Surface Area

114.4

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

IUPAC name

disodium naphthalene-2,6-disulfonate

Synonyms

Disodium naphthalene-2,6-disulphonateNaphthalene-2,6-disulphonic acid disodium saltNaphthalene-2,6-disulphonic acid disodium salt, 20% aqueous solutionDisodium naphthalene-2,6-disulphonate, 20% aqueous solution2,6-NAPHTHALENEDISULFONIC ACID SODIUM SALT TECHNICAL GRADE2,6-萘二磺酸二钠盐2,6-Naphthalenedisulfonic acid disodium saltSodium naphthalene-2,6-disulfonate

IUPAC Traditional name

disodium 2,6-naphthalenedisulfonate dipotassium 2,6-naphthalenedisulfonate

Names and Identifiers

Registration numbers

MDL Number

PubChem SID

EC Number

CAS Number