5-[4-[bis(fluoranyl)methylsulfonyl]phenyl]-6-(3-bromanyl-4-methoxy-phenyl)spiro[2.4]hepta-4,6-diene

Systemtic Name: 5-[4-[bis(fluoranyl)methylsulfonyl]phenyl]-6-(3-bromanyl-4-methoxy-phenyl)spiro[2.4]hepta-4,6-diene Openeye Name: 6-(3-bromo-4-methoxy-phenyl)-5-[4-(difluoromethylsulfonyl)phenyl]spiro[2.4]hepta-4,6-diene CAS Name: 6-(3-bromo-4-methoxyphenyl)-5-[4-(difluoromethylsulfonyl)phenyl]spiro[2.4]hepta-4,6-diene IUPAC Name: 6-(3-bromo-4-methoxyphenyl)-5-[4-(difluoromethylsulfonyl)phenyl]spiro[2.4]hepta-4,6-diene Traditional Name: 6-(3-bromo-4-methoxy-phenyl)-5-[4-(difluoromethylsulfonyl)phenyl]spiro[2.4]hepta-4,6-diene Formula: C21H17BrF2O3S MolecularWeight: 467.323686

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=CC3(CC3)C=C2C4=CC=C(C=C4)S(=O)(=O)C(F)F)Br

Isomeric SMILES

COC1=C(C=C(C=C1)C2=CC3(CC3)C=C2C4=CC=C(C=C4)S(=O)(=O)C(F)F)Br

InChI

InChI=1S/C21H17BrF2O3S/c1-27-19-7-4-14(10-18(19)22)17-12-21(8-9-21)11-16(17)13-2-5-15(6-3-13)28(25,26)20(23)24/h2-7,10-12,20H,8-9H2,1H3