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88626-21-5 | 1,3-Thiazin-1-ium, 2,4,6-tris(4-methoxyphenyl)-, perchlorate
CAS No: 88626-21-5 Catalog No: AG004BSD MDL No:
Product Description
Catalog Number:
AG004BSD
Chemical Name:
1,3-Thiazin-1-ium, 2,4,6-tris(4-methoxyphenyl)-, perchlorate
CAS Number:
88626-21-5
Molecular Formula:
C25H22ClNO7S
Molecular Weight:
515.9627
IUPAC Name:
2,4,6-tris(4-methoxyphenyl)-1,3-thiazin-1-ium;perchlorate
InChI:
InChI=1S/C25H22NO3S.ClHO4/c1-27-20-10-4-17(5-11-20)23-16-24(18-6-12-21(28-2)13-7-18)30-25(26-23)19-8-14-22(29-3)15-9-19;2-1(3,4)5/h4-16H,1-3H3;(H,2,3,4,5)/q+1;/p-1
InChI Key:
MQZKQCGABNGJMQ-UHFFFAOYSA-M
SMILES:
[O-][Cl](=O)(=O)=O.COc1ccc(cc1)c1cc([s+]c(n1)c1ccc(cc1)OC)c1ccc(cc1)OC
Properties
Complexity:
593
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
515.081g/mol
Formal Charge:
0
Heavy Atom Count:
35
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
515.961g/mol
Monoisotopic Mass:
515.081g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
143A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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