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76017-15-7 | 2,4-Diphenyl-5,6-dihydrobenzo[h]chromenium trifluoromethanesulfonate
CAS No: 76017-15-7 Catalog No: AG01EXB2 MDL No:
Product Description
Catalog Number:
AG01EXB2
Chemical Name:
2,4-Diphenyl-5,6-dihydrobenzo[h]chromenium trifluoromethanesulfonate
CAS Number:
76017-15-7
Molecular Formula:
C26H19F3O4S
Molecular Weight:
484.4869
IUPAC Name:
2,4-diphenyl-5,6-dihydrobenzo[h]chromen-1-ium;trifluoromethanesulfonate
InChI:
InChI=1S/C25H19O.CHF3O3S/c1-3-9-18(10-4-1)23-17-24(20-12-5-2-6-13-20)26-25-21-14-8-7-11-19(21)15-16-22(23)25;2-1(3,4)8(5,6)7/h1-14,17H,15-16H2;(H,5,6,7)/q+1;/p-1
InChI Key:
VWLZRIGOLKUTCO-UHFFFAOYSA-M
SMILES:
c1ccc(cc1)c1cc(c2ccccc2)c2c([o+]1)c1ccccc1CC2.[O-]S(=O)(=O)C(F)(F)F
Properties
Complexity:
592
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
484.096g/mol
Formal Charge:
0
Heavy Atom Count:
34
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
484.489g/mol
Monoisotopic Mass:
484.096g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
66.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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