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85082-15-1 | Phosphonium, 1,5-dithiaspiro[5.5]undec-8-yltriphenyl-, nitrate
CAS No: 85082-15-1 Catalog No: AG004XNU MDL No:
Product Description
Catalog Number:
AG004XNU
Chemical Name:
Phosphonium, 1,5-dithiaspiro[5.5]undec-8-yltriphenyl-, nitrate
CAS Number:
85082-15-1
Molecular Formula:
C27H30NO3PS2
Molecular Weight:
511.6358
IUPAC Name:
1,5-dithiaspiro[5.5]undecan-10-yl(triphenyl)phosphanium;nitrate
InChI:
InChI=1S/C27H30PS2.NO3/c1-4-12-23(13-5-1)28(24-14-6-2-7-15-24,25-16-8-3-9-17-25)26-18-10-19-27(22-26)29-20-11-21-30-27;2-1(3)4/h1-9,12-17,26H,10-11,18-22H2;/q+1;-1
InChI Key:
PASFRLKYJBQHTE-UHFFFAOYSA-N
SMILES:
C1CSC2(SC1)CCCC(C2)[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[O-][N+](=O)[O-]
Properties
Complexity:
498
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
511.14g/mol
Formal Charge:
0
Heavy Atom Count:
34
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
511.635g/mol
Monoisotopic Mass:
511.14g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
114A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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