6-(4-bromanyl-3-methyl-phenyl)-5-(4-methylsulfonylphenyl)spiro[2.4]hepta-4,6-diene

Systemtic Name: 6-(4-bromanyl-3-methyl-phenyl)-5-(4-methylsulfonylphenyl)spiro[2.4]hepta-4,6-diene Openeye Name: 6-(4-bromo-3-methyl-phenyl)-5-(4-methylsulfonylphenyl)spiro[2.4]hepta-4,6-diene CAS Name: 6-(4-bromo-3-methylphenyl)-5-(4-methylsulfonylphenyl)spiro[2.4]hepta-4,6-diene IUPAC Name: 6-(4-bromo-3-methylphenyl)-5-(4-methylsulfonylphenyl)spiro[2.4]hepta-4,6-diene Traditional Name: 6-(4-bromo-3-methyl-phenyl)-5-(4-mesylphenyl)spiro[2.4]hepta-4,6-diene Formula: C21H19BrO2S MolecularWeight: 415.34336

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C2=CC3(CC3)C=C2C4=CC=C(C=C4)S(=O)(=O)C)Br

Isomeric SMILES

CC1=C(C=CC(=C1)C2=CC3(CC3)C=C2C4=CC=C(C=C4)S(=O)(=O)C)Br

InChI

InChI=1S/C21H19BrO2S/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/h3-8,11-13H,9-10H2,1-2H3