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138847-95-7 | Benzenesulfonic acid, 2,2'-(1,2-ethenediyl)bis[5-[(phenylmethyl)amino]-
CAS No: 138847-95-7 Catalog No: AG0019P6 MDL No:
Product Description
Catalog Number:
AG0019P6
Chemical Name:
Benzenesulfonic acid, 2,2'-(1,2-ethenediyl)bis[5-[(phenylmethyl)amino]-
CAS Number:
138847-95-7
Molecular Formula:
C28H26N2O6S2
Molecular Weight:
550.6458
IUPAC Name:
5-(benzylamino)-2-[2-[4-(benzylamino)-2-sulfophenyl]ethenyl]benzenesulfonic acid
InChI:
InChI=1S/C28H26N2O6S2/c31-37(32,33)27-17-25(29-19-21-7-3-1-4-8-21)15-13-23(27)11-12-24-14-16-26(18-28(24)38(34,35)36)30-20-22-9-5-2-6-10-22/h1-18,29-30H,19-20H2,(H,31,32,33)(H,34,35,36)
InChI Key:
WWQBNDRUIFDPER-UHFFFAOYSA-N
SMILES:
OS(=O)(=O)c1cc(ccc1C=Cc1ccc(cc1S(=O)(=O)O)NCc1ccccc1)NCc1ccccc1
Properties
Complexity:
884
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
550.123g/mol
Formal Charge:
0
Heavy Atom Count:
38
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
550.644g/mol
Monoisotopic Mass:
550.123g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
150A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
4.6
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