lithium 3-[4-[2,5-bis(fluoranyl)phenyl]-4-(4-chlorophenyl)sulfonyl-cyclohexyl]propanoate

Systemtic Name: lithium 3-[4-[2,5-bis(fluoranyl)phenyl]-4-(4-chlorophenyl)sulfonyl-cyclohexyl]propanoate Openeye Name: lithium 3-[4-(4-chlorophenyl)sulfonyl-4-(2,5-difluorophenyl)cyclohexyl]propanoate CAS Name: lithium 3-[4-(4-chlorophenyl)sulfonyl-4-(2,5-difluorophenyl)cyclohexyl]propanoate IUPAC Name: lithium 3-[4-(4-chlorophenyl)sulfonyl-4-(2,5-difluorophenyl)cyclohexyl]propanoate Traditional Name: lithium 3-[4-(4-chlorophenyl)sulfonyl-4-(2,5-difluorophenyl)cyclohexyl]propionate Formula: C21H20ClF2LiO4S MolecularWeight: 448.836906

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Descriptors Computed from Structure

Canonical SMILES:

[Li+].C1CC(CCC1CCC(=O)[O-])(C2=C(C=CC(=C2)F)F)S(=O)(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

[Li+].C1CC(CCC1CCC(=O)[O-])(C2=C(C=CC(=C2)F)F)S(=O)(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H21ClF2O4S.Li/c22-15-2-5-17(6-3-15)29(27,28)21(18-13-16(23)4-7-19(18)24)11-9-14(10-12-21)1-8-20(25)26;/h2-7,13-14H,1,8-12H2,(H,25,26);/q;+1/p-1