C3393
Chrysophenine
Synonym(s):
Direct Yellow 12
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About This Item
Empirical Formula (Hill Notation):
C30H26N4Na2O8S2
CAS Number:
Molecular Weight:
680.66
Colour Index Number:
24895
UNSPSC Code:
12171500
EC Number:
220-698-2
MDL number:
composition
Dye content, ~65%
SMILES string
[Na+].[Na+].CCOc1ccc(cc1)\N=N\c2ccc(\C=C\c3ccc(cc3S([O-])(=O)=O)\N=N\c4ccc(OCC)cc4)c(c2)S([O-])(=O)=O
InChI
1S/C30H28N4O8S2.2Na/c1-3-41-27-15-11-23(12-16-27)31-33-25-9-7-21(29(19-25)43(35,36)37)5-6-22-8-10-26(20-30(22)44(38,39)40)34-32-24-13-17-28(18-14-24)42-4-2;;/h5-20H,3-4H2,1-2H3,(H,35,36,37)(H,38,39,40);;/q;2*+1/p-2/b6-5+,33-31+,34-32+;;
InChI key
YQMJDPHTMKUEHG-RNVLWOMCSA-L
Storage Class
13 - Non Combustible Solids
wgk
WGK 3
flash_point_f
Not applicable
flash_point_c
Not applicable
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