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227854

Supelco

Xylenol Orange tetrasodium salt

Dye content 90 %

Synonym(s):
3,3′-Bis[N,N-bis(carboxymethyl)aminomethyl]-o-cresolsulfonephthalein tetrasodium salt
Empirical Formula (Hill Notation):
C31H28N2Na4O13S
CAS Number:
Molecular Weight:
760.58
EC Number:
MDL number:
PubChem Substance ID:

composition

Dye content, 90%

mp

195 °C (dec.) (lit.)

λmax

580 nm

SMILES string

[Na+].[Na+].[Na+].[Na+].Cc1cc(cc(CN(CC([O-])=O)CC([O-])=O)c1O)C2(OS(=O)(=O)c3ccccc23)c4cc(C)c(O)c(CN(CC([O-])=O)CC([O-])=O)c4

InChI

1S/C31H32N2O13S.4Na/c1-17-7-21(9-19(29(17)42)11-32(13-25(34)35)14-26(36)37)31(23-5-3-4-6-24(23)47(44,45)46-31)22-8-18(2)30(43)20(10-22)12-33(15-27(38)39)16-28(40)41;;;;/h3-10,42-43H,11-16H2,1-2H3,(H,34,35)(H,36,37)(H,38,39)(H,40,41);;;;/q;4*+1/p-4

InChI key

YIIQUYHVWRJXEM-UHFFFAOYSA-J

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