3-(3-chloranyl-4-fluoranyl-phenyl)sulfonyl-6-hexyl-7-oxidanyl-chromen-2-one

Systemtic Name: 3-(3-chloranyl-4-fluoranyl-phenyl)sulfonyl-6-hexyl-7-oxidanyl-chromen-2-one Openeye Name: 3-(3-chloro-4-fluoro-phenyl)sulfonyl-6-hexyl-7-hydroxy-chromen-2-one CAS Name: 3-(3-chloro-4-fluorophenyl)sulfonyl-6-hexyl-7-hydroxy-1-benzopyran-2-one IUPAC Name: 3-(3-chloro-4-fluorophenyl)sulfonyl-6-hexyl-7-hydroxychromen-2-one Traditional Name: 3-(3-chloro-4-fluoro-phenyl)sulfonyl-6-hexyl-7-hydroxy-coumarin Formula: C21H20ClFO5S MolecularWeight: 438.896903

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=C(C=C2C(=C1)C=C(C(=O)O2)S(=O)(=O)C3=CC(=C(C=C3)F)Cl)O

Isomeric SMILES

CCCCCCC1=C(C=C2C(=C1)C=C(C(=O)O2)S(=O)(=O)C3=CC(=C(C=C3)F)Cl)O

InChI

InChI=1S/C21H20ClFO5S/c1-2-3-4-5-6-13-9-14-10-20(21(25)28-19(14)12-18(13)24)29(26,27)15-7-8-17(23)16(22)11-15/h7-12,24H,2-6H2,1H3