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Home > Other Heterocycles > 89637-45-6
89637-45-6 | Phosphonium, (1-oxido-1,5-dithiaspiro[5.5]undec-8-yl)triphenyl-, nitrate
CAS No: 89637-45-6 Catalog No: AG005OD5 MDL No:
Product Description
Catalog Number:
AG005OD5
Chemical Name:
Phosphonium, (1-oxido-1,5-dithiaspiro[5.5]undec-8-yl)triphenyl-, nitrate
CAS Number:
89637-45-6
Molecular Formula:
C27H30NO4PS2
Molecular Weight:
527.6352
IUPAC Name:
(5-oxo-1,5λ4-dithiaspiro[5.5]undecan-10-yl)-triphenylphosphanium;nitrate
InChI:
InChI=1S/C27H30OPS2.NO3/c28-31-21-11-20-30-27(31)19-10-18-26(22-27)29(23-12-4-1-5-13-23,24-14-6-2-7-15-24)25-16-8-3-9-17-25;2-1(3)4/h1-9,12-17,26H,10-11,18-22H2;/q+1;-1
InChI Key:
PYXDPUKLVSPKSC-UHFFFAOYSA-N
SMILES:
O=S1CCCSC21CCCC(C2)[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[O-][N+](=O)[O-]
Properties
Complexity:
580
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
527.135g/mol
Formal Charge:
0
Heavy Atom Count:
35
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
527.634g/mol
Monoisotopic Mass:
527.135g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
125A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
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