sodium; 2-[3,5-di(nonyl)phenyl]oxirane; hydrogen sulfate; 2-methyloxirane

Systemtic Name: sodium; 2-[3,5-di(nonyl)phenyl]oxirane; hydrogen sulfate; 2-methyloxirane Openeye Name: sodium; 2-[3,5-di(nonyl)phenyl]oxirane; hydrogen sulfate; 2-methyloxirane CAS Name: sodium; 2-[3,5-di(nonyl)phenyl]oxirane; hydrogen sulfate; 2-methyloxirane IUPAC Name: sodium; 2-[3,5-di(nonyl)phenyl]oxirane; hydrogen sulfate; 2-methyloxirane Traditional Name: sodium; 2-[3,5-di(nonyl)phenyl]oxirane; propylene oxide; bisulfate Formula: C29H51NaO6S MolecularWeight: 550.76641

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC1=CC(=CC(=C1)C2CO2)CCCCCCCCC.CC1CO1.OS(=O)(=O)[O-].[Na+]

Isomeric SMILES

CCCCCCCCCC1=CC(=CC(=C1)C2CO2)CCCCCCCCC.CC1CO1.OS(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C26H44O.C3H6O.Na.H2O4S/c1-3-5-7-9-11-13-15-17-23-19-24(21-25(20-23)26-22-27-26)18-16-14-12-10-8-6-4-2;1-3-2-4-3;;1-5(2,3)4/h19-21,26H,3-18,22H2,1-2H3;3H,2H2,1H3;;(H2,1,2,3,4)/q;;+1;/p-1