6-(4-bromanyl-3-methyl-phenyl)-5-(4-methylsulfonylphenyl)spiro[2.4]hept-5-ene

Systemtic Name: 6-(4-bromanyl-3-methyl-phenyl)-5-(4-methylsulfonylphenyl)spiro[2.4]hept-5-ene Openeye Name: 6-(4-bromo-3-methyl-phenyl)-5-(4-methylsulfonylphenyl)spiro[2.4]hept-5-ene CAS Name: 6-(4-bromo-3-methylphenyl)-5-(4-methylsulfonylphenyl)spiro[2.4]hept-5-ene IUPAC Name: 6-(4-bromo-3-methylphenyl)-5-(4-methylsulfonylphenyl)spiro[2.4]hept-5-ene Traditional Name: 6-(4-bromo-3-methyl-phenyl)-5-(4-mesylphenyl)spiro[2.4]hept-5-ene Formula: C21H21BrO2S MolecularWeight: 417.35924

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C2=C(CC3(C2)CC3)C4=CC=C(C=C4)S(=O)(=O)C)Br

Isomeric SMILES

CC1=C(C=CC(=C1)C2=C(CC3(C2)CC3)C4=CC=C(C=C4)S(=O)(=O)C)Br

InChI

InChI=1S/C21H21BrO2S/c1-14-11-16(5-8-20(14)22)19-13-21(9-10-21)12-18(19)15-3-6-17(7-4-15)25(2,23)24/h3-8,11H,9-10,12-13H2,1-2H3