5-[5-(4-methylsulfonylphenyl)spiro[2.4]hept-5-en-6-yl]-1,3-benzodioxole

Systemtic Name: 5-[5-(4-methylsulfonylphenyl)spiro[2.4]hept-5-en-6-yl]-1,3-benzodioxole Openeye Name: 5-[5-(4-methylsulfonylphenyl)spiro[2.4]hept-5-en-6-yl]-1,3-benzodioxole CAS Name: 5-[5-(4-methylsulfonylphenyl)-6-spiro[2.4]hept-5-enyl]-1,3-benzodioxole IUPAC Name: 5-[5-(4-methylsulfonylphenyl)spiro[2.4]hept-5-en-6-yl]-1,3-benzodioxole Traditional Name: 5-[5-(4-mesylphenyl)spiro[2.4]hept-5-en-6-yl]-1,3-benzodioxole Formula: C21H20O4S MolecularWeight: 368.4461

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)C2=C(CC3(C2)CC3)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)C2=C(CC3(C2)CC3)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C21H20O4S/c1-26(22,23)16-5-2-14(3-6-16)17-11-21(8-9-21)12-18(17)15-4-7-19-20(10-15)25-13-24-19/h2-7,10H,8-9,11-13H2,1H3