calcium 2-[(3Z)-6-fluoranyl-2-methyl-3-[(4-methylsulfinylphenyl)methylidene]-1,2-dihydroinden-1-yl]ethanoate

Systemtic Name: calcium 2-[(3Z)-6-fluoranyl-2-methyl-3-[(4-methylsulfinylphenyl)methylidene]-1,2-dihydroinden-1-yl]ethanoate Openeye Name: calcium 2-[(3Z)-6-fluoro-2-methyl-3-[(4-methylsulfinylphenyl)methylene]indan-1-yl]acetate CAS Name: calcium 2-[(3Z)-6-fluoro-2-methyl-3-[(4-methylsulfinylphenyl)methylidene]-1,2-dihydroinden-1-yl]acetate IUPAC Name: calcium 2-[(3Z)-6-fluoro-2-methyl-3-[(4-methylsulfinylphenyl)methylidene]-1,2-dihydroinden-1-yl]acetate Traditional Name: calcium 2-[(3Z)-6-fluoro-2-methyl-3-(4-methylsulfinylbenzylidene)indan-1-yl]acetate Formula: C40H36CaF2O6S2 MolecularWeight: 754.915046

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C2=C(C1=CC3=CC=C(C=C3)S(=O)C)C=CC(=C2)F)CC(=O)[O-].CC1C(C2=C(C1=CC3=CC=C(C=C3)S(=O)C)C=CC(=C2)F)CC(=O)[O-].[Ca+2]

Isomeric SMILES

CC1/C(=C/C2=CC=C(C=C2)S(=O)C)/C3=C(C1CC(=O)[O-])C=C(C=C3)F.CC1/C(=C/C2=CC=C(C=C2)S(=O)C)/C3=C(C1CC(=O)[O-])C=C(C=C3)F.[Ca+2]

InChI

InChI=1S/2C20H19FO3S.Ca/c2*1-12-17(9-13-3-6-15(7-4-13)25(2)24)16-8-5-14(21)10-19(16)18(12)11-20(22)23;/h2*3-10,12,18H,11H2,1-2H3,(H,22,23);/q;;+2/p-2/b2*17-9-;