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1571-36-4 | Benzenesulfonic acid, 2,2'-(1,2-ethenediyl)bis[5-[2-(3,4-dihydroxyphenyl)diazenyl]-, ammonium salt (1:2)
CAS No: 1571-36-4 Catalog No: AG001P7N MDL No:MFCD00045752
Product Description
Catalog Number:
AG001P7N
Chemical Name:
Benzenesulfonic acid, 2,2'-(1,2-ethenediyl)bis[5-[2-(3,4-dihydroxyphenyl)diazenyl]-, ammonium salt (1:2)
CAS Number:
1571-36-4
Molecular Formula:
C26H26N6O10S2
Molecular Weight:
646.6488
MDL Number:
MFCD00045752
IUPAC Name:
azane;5-[(3,4-dihydroxyphenyl)diazenyl]-2-[(E)-2-[4-[(3,4-dihydroxyphenyl)diazenyl]-2-sulfophenyl]ethenyl]benzenesulfonic acid
InChI:
InChI=1S/C26H20N4O10S2.2H3N/c31-21-9-7-17(11-23(21)33)27-29-19-5-3-15(25(13-19)41(35,36)37)1-2-16-4-6-20(14-26(16)42(38,39)40)30-28-18-8-10-22(32)24(34)12-18;;/h1-14,31-34H,(H,35,36,37)(H,38,39,40);2*1H3/b2-1+,29-27?,30-28?;;
InChI Key:
BTVLOQLIWTZBDD-ZFEDVODKSA-N
SMILES:
Oc1ccc(cc1O)N=Nc1ccc(c(c1)S(=O)(=O)[O-])C=Cc1ccc(cc1S(=O)(=O)[O-])N=Nc1ccc(c(c1)O)O.[NH4+].[NH4+]
EC Number:
216-389-7
Properties
Complexity:
1110
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
646.115g/mol
Formal Charge:
0
Heavy Atom Count:
44
Hydrogen Bond Acceptor Count:
16
Hydrogen Bond Donor Count:
8
Isotope Atom Count:
0
Molecular Weight:
646.646g/mol
Monoisotopic Mass:
646.115g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
258A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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