[3-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-2-oxidanylidene-4-propyl-chromen-7-yl] methanesulfonate

Systemtic Name: [3-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-2-oxidanylidene-4-propyl-chromen-7-yl] methanesulfonate Openeye Name: [3-[(2-chloro-6-fluoro-phenyl)methyl]-2-oxo-4-propyl-chromen-7-yl] methanesulfonate CAS Name: methanesulfonic acid [3-[(2-chloro-6-fluorophenyl)methyl]-2-oxo-4-propyl-1-benzopyran-7-yl] ester IUPAC Name: [3-[(2-chloro-6-fluorophenyl)methyl]-2-oxo-4-propylchromen-7-yl] methanesulfonate Traditional Name: methanesulfonic acid [3-(2-chloro-6-fluoro-benzyl)-2-keto-4-propyl-chromen-7-yl] ester Formula: C20H18ClFO5S MolecularWeight: 424.870323

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C(=O)OC2=C1C=CC(=C2)OS(=O)(=O)C)CC3=C(C=CC=C3Cl)F

Isomeric SMILES

CCCC1=C(C(=O)OC2=C1C=CC(=C2)OS(=O)(=O)C)CC3=C(C=CC=C3Cl)F

InChI

InChI=1S/C20H18ClFO5S/c1-3-5-13-14-9-8-12(27-28(2,24)25)10-19(14)26-20(23)15(13)11-16-17(21)6-4-7-18(16)22/h4,6-10H,3,5,11H2,1-2H3