calcium 2-[(3E)-6-fluoranyl-2-methyl-3-[(4-methylsulfinylphenyl)methylidene]inden-1-yl]ethanoic acid

Systemtic Name: calcium 2-[(3E)-6-fluoranyl-2-methyl-3-[(4-methylsulfinylphenyl)methylidene]inden-1-yl]ethanoic acid Openeye Name: calcium 2-[(3E)-6-fluoro-2-methyl-3-[(4-methylsulfinylphenyl)methylene]inden-1-yl]acetic acid CAS Name: calcium 2-[(3E)-6-fluoro-2-methyl-3-[(4-methylsulfinylphenyl)methylidene]-1-indenyl]acetic acid IUPAC Name: calcium 2-[(3E)-6-fluoro-2-methyl-3-[(4-methylsulfinylphenyl)methylidene]inden-1-yl]acetic acid Traditional Name: calcium 2-[(3E)-6-fluoro-2-methyl-3-(4-methylsulfinylbenzylidene)inden-1-yl]acetic acid Formula: C20H17CaFO3S+2 MolecularWeight: 396.488583

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C1=CC3=CC=C(C=C3)S(=O)C)C=CC(=C2)F)CC(=O)O.[Ca+2]

Isomeric SMILES

CC\1=C(C2=C(/C1=C/C3=CC=C(C=C3)S(=O)C)C=CC(=C2)F)CC(=O)O.[Ca+2]

InChI

InChI=1S/C20H17FO3S.Ca/c1-12-17(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;/h3-10H,11H2,1-2H3,(H,22,23);/q;+2/b17-9+;