2-[5-fluoranyl-2-octyl-1,1-bis(oxidanylidene)-3H-1,2-benzothiazol-3-yl]ethanoic acid

Systemtic Name: 2-[5-fluoranyl-2-octyl-1,1-bis(oxidanylidene)-3H-1,2-benzothiazol-3-yl]ethanoic acid Openeye Name: 2-(5-fluoro-2-octyl-1,1-dioxo-3H-1,2-benzothiazol-3-yl)acetic acid CAS Name: 2-(5-fluoro-2-octyl-1,1-dioxo-3H-1,2-benzothiazol-3-yl)acetic acid IUPAC Name: 2-(5-fluoro-2-octyl-1,1-dioxo-3H-1,2-benzothiazol-3-yl)acetic acid Traditional Name: 2-(5-fluoro-1,1-diketo-2-octyl-3H-1,2-benzothiazol-3-yl)acetic acid Formula: C17H24FNO4S MolecularWeight: 357.440163

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCN1C(C2=C(S1(=O)=O)C=CC(=C2)F)CC(=O)O

Isomeric SMILES

CCCCCCCCN1C(C2=C(S1(=O)=O)C=CC(=C2)F)CC(=O)O

InChI

InChI=1S/C17H24FNO4S/c1-2-3-4-5-6-7-10-19-15(12-17(20)21)14-11-13(18)8-9-16(14)24(19,22)23/h8-9,11,15H,2-7,10,12H2,1H3,(H,20,21)