6-(3-chloranyl-4-methoxy-phenyl)-5-[4-(trifluoromethylsulfonyl)phenyl]spiro[2.4]hepta-4,6-diene

Systemtic Name: 6-(3-chloranyl-4-methoxy-phenyl)-5-[4-(trifluoromethylsulfonyl)phenyl]spiro[2.4]hepta-4,6-diene Openeye Name: 6-(3-chloro-4-methoxy-phenyl)-5-[4-(trifluoromethylsulfonyl)phenyl]spiro[2.4]hepta-4,6-diene CAS Name: 6-(3-chloro-4-methoxyphenyl)-5-[4-(trifluoromethylsulfonyl)phenyl]spiro[2.4]hepta-4,6-diene IUPAC Name: 6-(3-chloro-4-methoxyphenyl)-5-[4-(trifluoromethylsulfonyl)phenyl]spiro[2.4]hepta-4,6-diene Traditional Name: 6-(3-chloro-4-methoxy-phenyl)-5-(4-triflylphenyl)spiro[2.4]hepta-4,6-diene Formula: C21H16ClF3O3S MolecularWeight: 440.86315

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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)F)Cl

Isomeric SMILES

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

InChI

InChI=1S/C21H16ClF3O3S/c1-28-19-7-4-14(10-18(19)22)17-12-20(8-9-20)11-16(17)13-2-5-15(6-3-13)29(26,27)21(23,24)25/h2-7,10-12H,8-9H2,1H3