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88626-19-1 | 1,3-Thiazin-1-ium, 4,6-bis(4-methoxyphenyl)-2-phenyl-, perchlorate
CAS No: 88626-19-1 Catalog No: AG004BSE MDL No:
Product Description
Catalog Number:
AG004BSE
Chemical Name:
1,3-Thiazin-1-ium, 4,6-bis(4-methoxyphenyl)-2-phenyl-, perchlorate
CAS Number:
88626-19-1
Molecular Formula:
C24H20ClNO6S
Molecular Weight:
485.9367
IUPAC Name:
4,6-bis(4-methoxyphenyl)-2-phenyl-1,3-thiazin-1-ium;perchlorate
InChI:
InChI=1S/C24H20NO2S.ClHO4/c1-26-20-12-8-17(9-13-20)22-16-23(18-10-14-21(27-2)15-11-18)28-24(25-22)19-6-4-3-5-7-19;2-1(3,4)5/h3-16H,1-2H3;(H,2,3,4,5)/q+1;/p-1
InChI Key:
YJCUPTYWRXAMMR-UHFFFAOYSA-M
SMILES:
[O-][Cl](=O)(=O)=O.COc1ccc(cc1)c1cc([s+]c(n1)c1ccccc1)c1ccc(cc1)OC
Properties
Complexity:
549
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
485.07g/mol
Formal Charge:
0
Heavy Atom Count:
33
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
485.935g/mol
Monoisotopic Mass:
485.07g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
134A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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