2-(5-bromanyl-4-chloranyl-1H-indol-3-yl)butanoate; butanoate

Systemtic Name: 2-(5-bromanyl-4-chloranyl-1H-indol-3-yl)butanoate; butanoate Openeye Name: 2-(5-bromo-4-chloro-1H-indol-3-yl)butanoate; butanoate CAS Name: 2-(5-bromo-4-chloro-1H-indol-3-yl)butanoate; butanoate IUPAC Name: 2-(5-bromo-4-chloro-1H-indol-3-yl)butanoate; butanoate Traditional Name: 2-(5-bromo-4-chloro-1H-indol-3-yl)butyrate; butyrate Formula: C16H17BrClNO4-2 MolecularWeight: 402.66748

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)[O-].CCC(C1=CNC2=C1C(=C(C=C2)Br)Cl)C(=O)[O-]

Isomeric SMILES

CCCC(=O)[O-].CCC(C1=CNC2=C1C(=C(C=C2)Br)Cl)C(=O)[O-]

InChI

InChI=1S/C12H11BrClNO2.C4H8O2/c1-2-6(12(16)17)7-5-15-9-4-3-8(13)11(14)10(7)9;1-2-3-4(5)6/h3-6,15H,2H2,1H3,(H,16,17);2-3H2,1H3,(H,5,6)/p-2