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

Systemtic Name: 5-(2-octylsulfinylpropyl)-1,3-benzodioxole hydrate Openeye Name: 5-(2-octylsulfinylpropyl)-1,3-benzodioxole hydrate CAS Name: 5-(2-octylsulfinylpropyl)-1,3-benzodioxole hydrate IUPAC Name: 5-(2-octylsulfinylpropyl)-1,3-benzodioxole hydrate Traditional Name: 5-(2-octylsulfinylpropyl)-1,3-benzodioxole hydrate Formula: C18H30O4S MolecularWeight: 342.4934

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCS(=O)C(C)CC1=CC2=C(C=C1)OCO2.O

Isomeric SMILES

CCCCCCCCS(=O)C(C)CC1=CC2=C(C=C1)OCO2.O

InChI

InChI=1S/C18H28O3S.H2O/c1-3-4-5-6-7-8-11-22(19)15(2)12-16-9-10-17-18(13-16)21-14-20-17;/h9-10,13,15H,3-8,11-12,14H2,1-2H3;1H2