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138847-94-6 | Benzenesulfonic acid, 2,2'-(1,2-ethenediyl)bis[5-[bis(phenylmethyl)amino]-
CAS No: 138847-94-6 Catalog No: AG0019P7 MDL No:
Product Description
Catalog Number:
AG0019P7
Chemical Name:
Benzenesulfonic acid, 2,2'-(1,2-ethenediyl)bis[5-[bis(phenylmethyl)amino]-
CAS Number:
138847-94-6
Molecular Formula:
C42H38N2O6S2
Molecular Weight:
730.8909
IUPAC Name:
5-(dibenzylamino)-2-[2-[4-(dibenzylamino)-2-sulfonatophenyl]ethenyl]benzenesulfonate
InChI:
InChI=1S/C42H38N2O6S2/c45-51(46,47)41-27-39(43(29-33-13-5-1-6-14-33)30-34-15-7-2-8-16-34)25-23-37(41)21-22-38-24-26-40(28-42(38)52(48,49)50)44(31-35-17-9-3-10-18-35)32-36-19-11-4-12-20-36/h1-28H,29-32H2,(H,45,46,47)(H,48,49,50)/p-2
InChI Key:
JYLFWCNMUQMLNW-UHFFFAOYSA-L
SMILES:
OS(=O)(=O)c1cc(ccc1C=Cc1ccc(cc1S(=O)(=O)O)N(Cc1ccccc1)Cc1ccccc1)N(Cc1ccccc1)Cc1ccccc1
Properties
Complexity:
1140
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
728.201g/mol
Formal Charge:
-2
Heavy Atom Count:
52
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
728.878g/mol
Monoisotopic Mass:
728.201g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
138A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
7.7
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