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

Systemtic Name: 6-(3-bromanyl-4-methoxy-phenyl)-5-(4-methylsulfonylphenyl)spiro[2.4]hept-5-ene Openeye Name: 6-(3-bromo-4-methoxy-phenyl)-5-(4-methylsulfonylphenyl)spiro[2.4]hept-5-ene CAS Name: 6-(3-bromo-4-methoxyphenyl)-5-(4-methylsulfonylphenyl)spiro[2.4]hept-5-ene IUPAC Name: 6-(3-bromo-4-methoxyphenyl)-5-(4-methylsulfonylphenyl)spiro[2.4]hept-5-ene Traditional Name: 6-(3-bromo-4-methoxy-phenyl)-5-(4-mesylphenyl)spiro[2.4]hept-5-ene Formula: C21H21BrO3S MolecularWeight: 433.35864

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=C(CC3(C2)CC3)C4=CC=C(C=C4)S(=O)(=O)C)Br

Isomeric SMILES

COC1=C(C=C(C=C1)C2=C(CC3(C2)CC3)C4=CC=C(C=C4)S(=O)(=O)C)Br

InChI

InChI=1S/C21H21BrO3S/c1-25-20-8-5-15(11-19(20)22)18-13-21(9-10-21)12-17(18)14-3-6-16(7-4-14)26(2,23)24/h3-8,11H,9-10,12-13H2,1-2H3