2-(propylsulfanylmethyl)-1,2-oxazol-2-ium; sulfuric acid

Systemtic Name: 2-(propylsulfanylmethyl)-1,2-oxazol-2-ium; sulfuric acid Openeye Name: 2-(propylsulfanylmethyl)isoxazol-2-ium; sulfuric acid CAS Name: 2-[(propylthio)methyl]isoxazol-2-ium; sulfuric acid IUPAC Name: 2-(propylsulfanylmethyl)-1,2-oxazol-2-ium; sulfuric acid Traditional Name: 2-[(propylthio)methyl]isoxazol-2-ium; sulfuric acid Formula: C14H26N2O6S3+2 MolecularWeight: 414.56104

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC[N+]1=CC=CO1.CCCSC[N+]1=CC=CO1.OS(=O)(=O)O

Isomeric SMILES

CCCSC[N+]1=CC=CO1.CCCSC[N+]1=CC=CO1.OS(=O)(=O)O

InChI

InChI=1S/2C7H12NOS.H2O4S/c2*1-2-6-10-7-8-4-3-5-9-8;1-5(2,3)4/h2*3-5H,2,6-7H2,1H3;(H2,1,2,3,4)/q2*+1;