CAS 123333-81-3 | Benzenesulfonic acid, 4,4',4'',4'''-[2,4-pyridinediylbis(1,2,4-triazine-3,5,6-triyl)]tetrakis-, tetrasodium salt, hydrate (9CI) | CAS Number 123333-81-3

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123333-81-3 | Benzenesulfonic acid, 4,4',4'',4'''-[2,4-pyridinediylbis(1,2,4-triazine-3,5,6-triyl)]tetrakis-, tetrasodium salt, hydrate (9CI)

CAS No: 123333-81-3 Catalog No: AG000KDS MDL No:

Product Description

Catalog Number:

AG000KDS

Chemical Name:

Benzenesulfonic acid, 4,4',4'',4'''-[2,4-pyridinediylbis(1,2,4-triazine-3,5,6-triyl)]tetrakis-, tetrasodium salt, hydrate (9CI)

CAS Number:

123333-81-3

Molecular Formula:

C35H21N7Na4O13S4

Molecular Weight:

967.7994

IUPAC Name:

4-[3-[2-[5,6-bis(4-sulfophenyl)-1,2,4-triazin-3-yl]pyridin-3-yl]-6-(4-sulfophenyl)-1,2,4-triazin-5-yl]benzenesulfonic acid;sodium

InChI:

InChI=1S/C35H23N7O12S4.Na/c43-55(44,45)24-11-3-20(4-12-24)29-31(22-7-15-26(16-8-22)57(49,50)51)39-41-34(37-29)28-2-1-19-36-33(28)35-38-30(21-5-13-25(14-6-21)56(46,47)48)32(40-42-35)23-9-17-27(18-10-23)58(52,53)54;/h1-19H,(H,43,44,45)(H,46,47,48)(H,49,50,51)(H,52,53,54);

InChI Key:

JKQPQLPYPDBHQB-UHFFFAOYSA-N

SMILES:

[O-]S(=O)(=O)c1ccc(cc1)c1nc(nnc1c1ccc(cc1)S(=O)(=O)[O-])c1ccnc(c1)c1nnc(c(n1)c1ccc(cc1)S(=O)(=O)[O-])c1ccc(cc1)S(=O)(=O)[O-].O.[Na+].[Na+].[Na+].[Na+]