(7-fluoranyl-1-methyl-3-oxidanylidene-1,2-dihydroinden-4-yl) 4-chloranyl-3-methylsulfonyl-benzoate

Systemtic Name: (7-fluoranyl-1-methyl-3-oxidanylidene-1,2-dihydroinden-4-yl) 4-chloranyl-3-methylsulfonyl-benzoate Openeye Name: (7-fluoro-1-methyl-3-oxo-indan-4-yl) 4-chloro-3-methylsulfonyl-benzoate CAS Name: 4-chloro-3-methylsulfonylbenzoic acid (7-fluoro-1-methyl-3-oxo-1,2-dihydroinden-4-yl) ester IUPAC Name: (7-fluoro-1-methyl-3-oxo-1,2-dihydroinden-4-yl) 4-chloro-3-methylsulfonylbenzoate Traditional Name: 4-chloro-3-mesyl-benzoic acid (7-fluoro-3-keto-1-methyl-indan-4-yl) ester Formula: C18H14ClFO5S MolecularWeight: 396.817163

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(=O)C2=C(C=CC(=C12)F)OC(=O)C3=CC(=C(C=C3)Cl)S(=O)(=O)C

Isomeric SMILES

CC1CC(=O)C2=C(C=CC(=C12)F)OC(=O)C3=CC(=C(C=C3)Cl)S(=O)(=O)C

InChI

InChI=1S/C18H14ClFO5S/c1-9-7-13(21)17-14(6-5-12(20)16(9)17)25-18(22)10-3-4-11(19)15(8-10)26(2,23)24/h3-6,8-9H,7H2,1-2H3