SBY

3-[DODECYL(DIMETHYL)AMMONIO]PROPANE-1-SULFONATE

Created:	2009-08-07
Last modified:	2011-06-04

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2 entries where SBY is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	59
Chiral Atom Count	0
Bond Count	58
Aromatic Bond Count	0

2D diagram of SBY

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Chemical Component Summary
Name	3-[DODECYL(DIMETHYL)AMMONIO]PROPANE-1-SULFONATE
Systematic Name (OpenEye OEToolkits)	3-(dodecyl-dimethyl-azaniumyl)propane-1-sulfonate
Formula	C₁₇ H₃₇ N O₃ S
Molecular Weight	335.546
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	[O-]S(=O)(=O)CCC[N+](C)(CCCCCCCCCCCC)C
SMILES	CACTVS	3.352	CCCCCCCCCCCC[N+](C)(C)CCC[S]([O-])(=O)=O
SMILES	OpenEye OEToolkits	1.6.1	CCCCCCCCCCCC[N+](C)(C)CCCS(=O)(=O)[O-]
Canonical SMILES	CACTVS	3.352	CCCCCCCCCCCC[N+](C)(C)CCC[S]([O-])(=O)=O
Canonical SMILES	OpenEye OEToolkits	1.6.1	CCCCCCCCCCCC[N+](C)(C)CCCS(=O)(=O)[O-]
InChI	InChI	1.03	InChI=1S/C17H37NO3S/c1-4-5-6-7-8-9-10-11-12-13-15-18(2,3)16-14-17-22(19,20)21/h4-17H2,1-3H3
InChIKey	InChI	1.03	IZWSFJTYBVKZNK-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	84703
ChEMBL	CHEMBL1235854
ChEBI	CHEBI:75303

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