2-(4-bromanylbutyl)-5,6-dimethoxy-3-oxidanylidene-1H-indene-2-carboxylic acid

Systemtic Name: 2-(4-bromanylbutyl)-5,6-dimethoxy-3-oxidanylidene-1H-indene-2-carboxylic acid Openeye Name: 2-(4-bromobutyl)-5,6-dimethoxy-1-oxo-indane-2-carboxylic acid CAS Name: 2-(4-bromobutyl)-5,6-dimethoxy-3-oxo-1H-indene-2-carboxylic acid IUPAC Name: 2-(4-bromobutyl)-5,6-dimethoxy-3-oxo-1H-indene-2-carboxylic acid Traditional Name: 2-(4-bromobutyl)-1-keto-5,6-dimethoxy-indane-2-carboxylic acid Formula: C16H19BrO5 MolecularWeight: 371.22306

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)CC(C2=O)(CCCCBr)C(=O)O)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)CC(C2=O)(CCCCBr)C(=O)O)OC

InChI

InChI=1S/C16H19BrO5/c1-21-12-7-10-9-16(15(19)20,5-3-4-6-17)14(18)11(10)8-13(12)22-2/h7-8H,3-6,9H2,1-2H3,(H,19,20)