2-methoxy-8-oxabicyclo[2.2.2]octa-1,3,5-triene; 4-phenylsulfanylbutanal

Systemtic Name: 2-methoxy-8-oxabicyclo[2.2.2]octa-1,3,5-triene; 4-phenylsulfanylbutanal Openeye Name: 2-methoxy-8-oxabicyclo[2.2.2]octa-1,3,5-triene; 4-phenylsulfanylbutanal CAS Name: 2-methoxy-8-oxabicyclo[2.2.2]octa-1,3,5-triene; 4-(phenylthio)butanal IUPAC Name: 2-methoxy-8-oxabicyclo[2.2.2]octa-1,3,5-triene; 4-phenylsulfanylbutanal Traditional Name: 2-methoxy-8-oxabicyclo[2.2.2]octa-1,3,5-triene; 4-(phenylthio)butyraldehyde Formula: C18H20O3S MolecularWeight: 316.4146

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C2COC(=C1)C=C2.C1=CC=C(C=C1)SCCCC=O

Isomeric SMILES

COC1=C2COC(=C1)C=C2.C1=CC=C(C=C1)SCCCC=O

InChI

InChI=1S/C10H12OS.C8H8O2/c11-8-4-5-9-12-10-6-2-1-3-7-10;1-9-8-4-7-3-2-6(8)5-10-7/h1-3,6-8H,4-5,9H2;2-4H,5H2,1H3