butane; 2-[3,4,5-tris(bromanyl)pyrazol-1-yl]ethanoic acid

Systemtic Name: butane; 2-[3,4,5-tris(bromanyl)pyrazol-1-yl]ethanoic acid Openeye Name: butane; 2-(3,4,5-tribromopyrazol-1-yl)acetic acid CAS Name: butane; 2-(3,4,5-tribromo-1-pyrazolyl)acetic acid IUPAC Name: butane; 2-(3,4,5-tribromopyrazol-1-yl)acetic acid Traditional Name: n-butane; 2-(3,4,5-tribromopyrazol-1-yl)acetic acid Formula: C9H13Br3N2O2 MolecularWeight: 420.92372

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Descriptors Computed from Structure

Canonical SMILES:

CCCC.C(C(=O)O)N1C(=C(C(=N1)Br)Br)Br

Isomeric SMILES

CCCC.C(C(=O)O)N1C(=C(C(=N1)Br)Br)Br

InChI

InChI=1S/C5H3Br3N2O2.C4H10/c6-3-4(7)9-10(5(3)8)1-2(11)12;1-3-4-2/h1H2,(H,11,12);3-4H2,1-2H3