2-[(3Z)-6-fluoranyl-2-methyl-3-[(5-sulfofuran-2-yl)methylidene]inden-1-yl]ethanoic acid

Systemtic Name: 2-[(3Z)-6-fluoranyl-2-methyl-3-[(5-sulfofuran-2-yl)methylidene]inden-1-yl]ethanoic acid Openeye Name: 2-[(3Z)-6-fluoro-2-methyl-3-[(5-sulfo-2-furyl)methylene]inden-1-yl]acetic acid CAS Name: 2-[(3Z)-6-fluoro-2-methyl-3-[(5-sulfo-2-furanyl)methylidene]-1-indenyl]acetic acid IUPAC Name: 2-[(3Z)-6-fluoro-2-methyl-3-[(5-sulfofuran-2-yl)methylidene]inden-1-yl]acetic acid Traditional Name: 2-[(3Z)-6-fluoro-2-methyl-3-[(5-sulfo-2-furyl)methylene]inden-1-yl]acetic acid Formula: C17H13FO6S MolecularWeight: 364.344923

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C1=CC3=CC=C(O3)S(=O)(=O)O)C=CC(=C2)F)CC(=O)O

Isomeric SMILES

CC\1=C(C2=C(/C1=C\C3=CC=C(O3)S(=O)(=O)O)C=CC(=C2)F)CC(=O)O

InChI

InChI=1S/C17H13FO6S/c1-9-13(7-11-3-5-17(24-11)25(21,22)23)12-4-2-10(18)6-15(12)14(9)8-16(19)20/h2-7H,8H2,1H3,(H,19,20)(H,21,22,23)/b13-7-