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91993-41-8 | Octadecanetrisulfonyl triazide, trichloro-
CAS No: 91993-41-8 Catalog No: AG006GCF MDL No:
Product Description
Catalog Number:
AG006GCF
Chemical Name:
Octadecanetrisulfonyl triazide, trichloro-
CAS Number:
91993-41-8
Molecular Formula:
C18H32Cl3N9O6S3
Molecular Weight:
673.0574
IUPAC Name:
1,18,18-trichloro-1-N,1-N',18-N-tridiazooctadecane-1,1,18-trisulfonamide
InChI:
InChI=1S/C18H32Cl3N9O6S3/c19-17(20,37(31,32)28-25-22)15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18(21,38(33,34)29-26-23)39(35,36)30-27-24/h1-16H2
InChI Key:
INHIOPDAZPWBIG-UHFFFAOYSA-N
SMILES:
[N-]=[N+]=NS(=O)(=O)C(CCCCCCCCCCCCCCCCC(S(=O)(=O)N=[N+]=[N-])(S(=O)(=O)N=[N+]=[N-])Cl)(Cl)Cl
Properties
Complexity:
1180
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
671.07g/mol
Formal Charge:
0
Heavy Atom Count:
39
Hydrogen Bond Acceptor Count:
12
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
673.041g/mol
Monoisotopic Mass:
671.07g/mol
Rotatable Bond Count:
23
Topological Polar Surface Area:
171A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
3
XLogP3:
12
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