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Reference substances

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General information

Inventory

EC number:
243-717-6
EC name:
Trisodium 2-[[4,5-dihydro-3-methyl-5-oxo-1-[4-[[2-(sulphonatooxy)ethyl]sulphonyl]phenyl]-1H-pyrazol-4-yl]azo]naphthalene-1,5-disulphonate
CAS number:
20298-05-9

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Reference substance information

IUPAC name:
trisodium 2-[(E)-2-(3-methyl-5-oxo-1-{4-[2-(sulfonatooxy)ethanesulfonyl]phenyl}-4,5-dihydro-1H-pyrazol-4-yl)diazen-1-yl]naphthalene-1,5-disulfonate
Synonyms
Names:
trisodium 2-{[3-methyl-5-oxo-1-(4-{[2-(sulfonatooxy)ethyl]sulfonyl}phenyl)-4,5-dihydro-1H-pyrazol-4-yl]diazenyl}naphthalene-1,5-disulfonate

CAS information

CAS number:
20298-05-9

Molecular and structural information

Molecular formula:
C22H20N4O13S4.3Na
Molecular weight:
742.625
SMILES notation:
[Na+].CC1C(N=Nc2ccc3c(S(=O)(=O)[O-])cccc3c2S(=O)(=O)[O])C(=O)N(c2ccc(S(=O)(=O)CCOS(=O)(=O)[O-])cc2)N=1.[Na+].[Na+]
InChl:
1S/C22H20N4O13S4.3Na/c1-13-20(22(27)26(25-13)14-5-7-15(8-6-14)40(28,29)12-11-39-43(36,37)38)24-23-18-10-9-16-17(21(18)42(33,34)35)3-2-4-19(16)41(30,31)32;;;/h2-10,20H,11-12H2,1H3,(H,30,31,32)(H,33,34,35)(H,36,37,38);;;/q;3*+1/p-3/b24-23+;;;
Structural formula:
Chemical structure