4-(4-bromophenyl)-5-methoxy-4-methoxycarbonyl-5-oxidanylidene-pentanoic acid

Systemtic Name: 4-(4-bromophenyl)-5-methoxy-4-methoxycarbonyl-5-oxidanylidene-pentanoic acid Openeye Name: 4-(4-bromophenyl)-5-methoxy-4-methoxycarbonyl-5-oxo-pentanoic acid CAS Name: 4-(4-bromophenyl)-5-methoxy-4-methoxycarbonyl-5-oxopentanoic acid IUPAC Name: 4-(4-bromophenyl)-5-methoxy-4-methoxycarbonyl-5-oxopentanoic acid Traditional Name: 4-(4-bromophenyl)-4-carbomethoxy-5-keto-5-methoxy-valeric acid Formula: C14H15BrO6 MolecularWeight: 359.1693

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCC(=O)O)(C1=CC=C(C=C1)Br)C(=O)OC

Isomeric SMILES

COC(=O)C(CCC(=O)O)(C1=CC=C(C=C1)Br)C(=O)OC

InChI

InChI=1S/C14H15BrO6/c1-20-12(18)14(13(19)21-2,8-7-11(16)17)9-3-5-10(15)6-4-9/h3-6H,7-8H2,1-2H3,(H,16,17)