CAS 20182-56-3 | Benzenesulfonic acid, 2,2'-(1,2-ethenediyl)bis[5-[[4-[(2-hydroxyethyl)amino]-6-[(4-sulfophenyl)amino]-1,3,5-triazin-2-yl]amino]-, sodium salt (1:4) | CAS Number 20182-56-3

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20182-56-3 | Benzenesulfonic acid, 2,2'-(1,2-ethenediyl)bis[5-[[4-[(2-hydroxyethyl)amino]-6-[(4-sulfophenyl)amino]-1,3,5-triazin-2-yl]amino]-, sodium salt (1:4)

CAS No: 20182-56-3 Catalog No: AG0027VE MDL No:

Product Description

Catalog Number:

AG0027VE

Chemical Name:

Benzenesulfonic acid, 2,2'-(1,2-ethenediyl)bis[5-[[4-[(2-hydroxyethyl)amino]-6-[(4-sulfophenyl)amino]-1,3,5-triazin-2-yl]amino]-, sodium salt (1:4)

CAS Number:

20182-56-3

Molecular Formula:

C36H34N12Na4O14S4++

Molecular Weight:

1078.9462

IUPAC Name:

tetrasodium;5-[[4-(2-hydroxyethylamino)-6-(4-sulfonatoanilino)-1,3,5-triazin-2-yl]amino]-2-[2-[4-[[4-(2-hydroxyethylamino)-6-(4-sulfonatoanilino)-1,3,5-triazin-2-yl]amino]-2-sulfonatophenyl]ethenyl]benzenesulfonate

InChI:

InChI=1S/C36H36N12O14S4.4Na/c49-17-15-37-31-43-33(39-23-7-11-27(12-8-23)63(51,52)53)47-35(45-31)41-25-5-3-21(29(19-25)65(57,58)59)1-2-22-4-6-26(20-30(22)66(60,61)62)42-36-46-32(38-16-18-50)44-34(48-36)40-24-9-13-28(14-10-24)64(54,55)56;;;;/h1-14,19-20,49-50H,15-18H2,(H,51,52,53)(H,54,55,56)(H,57,58,59)(H,60,61,62)(H3,37,39,41,43,45,47)(H3,38,40,42,44,46,48);;;;/q;4*+1/p-4

InChI Key:

KBBXVSKGGMXRTL-UHFFFAOYSA-J

SMILES:

OCCNc1nc(nc(n1)Nc1ccc(cc1)S(=O)(=O)O)Nc1ccc(c(c1)S(=O)(=O)[O-])C=Cc1ccc(cc1S(=O)(=O)[O-])Nc1nc(NCCO)nc(n1)Nc1ccc(cc1)S(=O)(=O)O.[Na+].[Na+].[Na+].[Na+]