Free Chemical Databases
-
[Synonyms]
NSC81763
15814-66-1
[Structure]
[ Properties Computed from Structure]
Molecular Weight 420.5424 [g/mol] Molecular Formula C12H20O8S4 XLogP 0.1 H-Bond Donor 0 H-Bond Acceptor 8 Rotatable Bond Count 0 Exact Mass 420.0041 MonoIsotopic Mass 420.0041 Topological Polar Surface Area 137 Heavy Atom Count 24 Formal Charge 0 Complexity 841 Isotope Atom Count 0 Defined Atom StereoCenter Count 0 Undefined Atom StereoCenter Count 0 Defined Bond StereoCenter Count 0 Undefined Bond StereoCenter Count 0 Covalently-Bonded Unit Count 1
[ Descriptors Computed from Structure]
IUPAC Name: 13,13-dimethyl-1λ6,4λ6,8λ6,
11λ6-tetrathiadispiro[4.1.47.35]tetradecane
1,1,4,4,8,8,11,11-octaoxide
Canonical SMILES: CC1(CC2(CC3(C1)S(=O)(=O)CCS3(=O)=O)S(=O)(=O)CCS2(=O)=O)C
InChI: InChI=1/C12H20O8S4/c1-10(2)7-11(21(13,14)3-4-22(11,
15)16)9-12(8-10)23(17,18)5-6-24(12,19)20/h3-9H2,1-2H3
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