5-(2-octylsulfinylpropyl)-1,3-benzodioxole nitrate

Systemtic Name: 5-(2-octylsulfinylpropyl)-1,3-benzodioxole nitrate Openeye Name: 5-(2-octylsulfinylpropyl)-1,3-benzodioxole nitrate CAS Name: 5-(2-octylsulfinylpropyl)-1,3-benzodioxole nitrate IUPAC Name: 5-(2-octylsulfinylpropyl)-1,3-benzodioxole nitrate Traditional Name: 5-(2-octylsulfinylpropyl)-1,3-benzodioxole nitrate Formula: C18H28NO6S- MolecularWeight: 386.48302

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCS(=O)C(C)CC1=CC2=C(C=C1)OCO2.[N+](=O)([O-])[O-]

Isomeric SMILES

CCCCCCCCS(=O)C(C)CC1=CC2=C(C=C1)OCO2.[N+](=O)([O-])[O-]

InChI

InChI=1S/C18H28O3S.NO3/c1-3-4-5-6-7-8-11-22(19)15(2)12-16-9-10-17-18(13-16)21-14-20-17;2-1(3)4/h9-10,13,15H,3-8,11-12,14H2,1-2H3;/q;-1