Free Chemical Databases
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[Synonyms]
[Structure]
[ Properties Computed from Structure]
Molecular Weight 370.52287 [g/mol] Molecular Formula C18H35NaO4S H-Bond Donor 0 H-Bond Acceptor 4 Rotatable Bond Count 16 Exact Mass 370.215375 MonoIsotopic Mass 370.215375 Topological Polar Surface Area 66.4 Heavy Atom Count 24 Formal Charge 0 Complexity 344 Isotope Atom Count 0 Defined Atom StereoCenter Count 0 Undefined Atom StereoCenter Count 0 Defined Bond StereoCenter Count 0 Undefined Bond StereoCenter Count 1 Covalently-Bonded Unit Count 2
[ Descriptors Computed from Structure]
IUPAC Name: sodium octadec-9-enyl sulfate
Canonical SMILES: CCCCCCCCC=CCCCCCCCCOS(=O)(=O)[O-].[Na+]
InChI: InChI=1/C18H36O4S.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-23
(19,20)21;/h9-10H,2-8,11-18H2,1H3,(H,19,20,
21);/q;+1/p-1/fC18H35O4S.Na/q-1;m
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