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Reference substances

Reference substances

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General information

Inventory

EC number:
265-515-7
EC name:
Disodium 1-amino-4-[[3-[(2-bromo-1-oxoallyl)amino]-2,4,6-trimethyl-5-sulphonatophenyl]amino]-9,10-dihydro-9,10-dioxoanthracene-2-sulphonate
CAS number:
65147-24-2

No inventory information available

Reference substance information

IUPAC name:
disodium 1-amino-4-({3-[(2-bromoacryloyl)amino]-2,4,6-trimethyl-5-sulfonatophenyl}amino)-9,10-dioxo-9,10-dihydroanthracene-2-sulfonate

CAS information

CAS number:
65147-24-2

Molecular and structural information

Molecular formula:
C26H22BrN3O9S2.2Na
Molecular weight:
708.465
SMILES notation:
[Na+].[Na+].Cc1c(NC(=O)C(=C)Br)c(C)c(c(C)c1Nc2cc(c(N)c3C(=O)c4ccccc4C(=O)c23)S(=O)(=O)[O-])S(=O)(=O)[O-]
InChl:
InChI=1/C26H22BrN3O9S2.2Na/c1-10-21(11(2)25(41(37,38)39)12(3)22(10)30-26(33)13(4)27)29-16-9-17(40(34,35)36)20(28)19-18(16)23(31)14-7-5-6-8-15(14)24(19)32;;/h5-9,29H,4,28H2,1-3H3,(H,30,33)(H,34,35,36)(H,37,38,39);;/q;2*+1/p-2
Structural formula:
Chemical structure