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Home > Nitro Compounds > 85631-70-5
85631-70-5 | 4-hydroxy-5-[[2-hydroxy-4-[3-hydroxy-4-[[3-(5-hydroxy-3-methyl-1H-pyrazol-1-yl)phenyl]azo]anilino]phenyl]azo]-3-[[4-(4-nitro-2-sulphoanilino)phenyl]azo]naphthalenedisulphonic acid, sodium salt
CAS No: 85631-70-5 Catalog No: AG00GENX MDL No:
Product Description
Catalog Number:
AG00GENX
Chemical Name:
4-hydroxy-5-[[2-hydroxy-4-[3-hydroxy-4-[[3-(5-hydroxy-3-methyl-1H-pyrazol-1-yl)phenyl]azo]anilino]phenyl]azo]-3-[[4-(4-nitro-2-sulphoanilino)phenyl]azo]naphthalenedisulphonic acid, sodium salt
CAS Number:
85631-70-5
IUPAC Name:
trisodium;4-hydroxy-5-[[2-hydroxy-4-[3-hydroxy-4-[[3-(5-hydroxy-3-methylpyrazol-1-yl)phenyl]diazenyl]anilino]phenyl]diazenyl]-3-[[4-(4-nitro-2-sulfonatoanilino)phenyl]diazenyl]naphthalene-1,2-disulfonate
InChI:
InChI=1S/C44H33N11O15S3.3Na/c1-23-18-39(58)54(53-23)29-5-2-4-28(19-29)48-49-32-15-12-26(20-36(32)56)45-27-13-16-33(37(57)21-27)50-51-35-7-3-6-31-40(35)42(59)41(44(73(68,69)70)43(31)72(65,66)67)52-47-25-10-8-24(9-11-25)46-34-17-14-30(55(60)61)22-38(34)71(62,63)64;;;/h2-22,45-46,56-59H,1H3,(H,62,63,64)(H,65,66,67)(H,68,69,70);;;/q;3*+1/p-3
InChI Key:
PISMZUGANMDDIU-UHFFFAOYSA-K
EC Number:
288-018-7
Properties
Complexity:
2270
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
4
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
1117.078g/mol
Formal Charge:
0
Heavy Atom Count:
76
Hydrogen Bond Acceptor Count:
24
Hydrogen Bond Donor Count:
6
Isotope Atom Count:
0
Molecular Weight:
1117.935g/mol
Monoisotopic Mass:
1117.078g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
440A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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