2-(5-bromanyl-3-oxidanylidene-1,2-dihydroinden-2-yl)pentanoic acid

Systemtic Name: 2-(5-bromanyl-3-oxidanylidene-1,2-dihydroinden-2-yl)pentanoic acid Openeye Name: 2-(6-bromo-1-oxo-indan-2-yl)pentanoic acid CAS Name: 2-(5-bromo-3-oxo-1,2-dihydroinden-2-yl)pentanoic acid IUPAC Name: 2-(5-bromo-3-oxo-1,2-dihydroinden-2-yl)pentanoic acid Traditional Name: 2-(6-bromo-1-keto-indan-2-yl)valeric acid Formula: C14H15BrO3 MolecularWeight: 311.1711

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(C1CC2=C(C1=O)C=C(C=C2)Br)C(=O)O

Isomeric SMILES

CCCC(C1CC2=C(C1=O)C=C(C=C2)Br)C(=O)O

InChI

InChI=1S/C14H15BrO3/c1-2-3-10(14(17)18)12-6-8-4-5-9(15)7-11(8)13(12)16/h4-5,7,10,12H,2-3,6H2,1H3,(H,17,18)