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12768-92-2 | C.I. Fluorescent Brightener 113
CAS No: 12768-92-2 Catalog No: AG000XAH MDL No:MFCD14636465
Product Description
Catalog Number:
AG000XAH
Chemical Name:
C.I. Fluorescent Brightener 113
CAS Number:
12768-92-2
MDL Number:
MFCD14636465
IUPAC Name:
disodium;5-[[4-anilino-6-(diethoxyamino)-1,3,5-triazin-2-yl]amino]-2-[(E)-2-[4-[[4-anilino-6-(diethoxyamino)-1,3,5-triazin-2-yl]amino]-2-sulfonatophenyl]ethenyl]benzenesulfonate
InChI:
InChI=1S/C40H44N12O10S2.2Na/c1-5-59-51(60-6-2)39-47-35(41-29-15-11-9-12-16-29)45-37(49-39)43-31-23-21-27(33(25-31)63(53,54)55)19-20-28-22-24-32(26-34(28)64(56,57)58)44-38-46-36(42-30-17-13-10-14-18-30)48-40(50-38)52(61-7-3)62-8-4;;/h9-26H,5-8H2,1-4H3,(H,53,54,55)(H,56,57,58)(H2,41,43,45,47,49)(H2,42,44,46,48,50);;/q;2*+1/p-2/b20-19+;;
InChI Key:
JUBLHYOQMVXSEM-LLIZZRELSA-L
EC Number:
603-225-8
Properties
Complexity:
1470
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
960.238g/mol
Formal Charge:
0
Heavy Atom Count:
66
Hydrogen Bond Acceptor Count:
22
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
960.95g/mol
Monoisotopic Mass:
960.238g/mol
Rotatable Bond Count:
20
Topological Polar Surface Area:
300A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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