8-[4-(4-bromophenyl)phenyl]-8-oxidanylidene-octanoic acid

Systemtic Name: 8-[4-(4-bromophenyl)phenyl]-8-oxidanylidene-octanoic acid Openeye Name: 8-[4-(4-bromophenyl)phenyl]-8-oxo-octanoic acid CAS Name: 8-[4-(4-bromophenyl)phenyl]-8-oxooctanoic acid IUPAC Name: 8-[4-(4-bromophenyl)phenyl]-8-oxooctanoic acid Traditional Name: 8-[4-(4-bromophenyl)phenyl]-8-keto-caprylic acid Formula: C20H21BrO3 MolecularWeight: 389.28294

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=CC=C(C=C2)Br)C(=O)CCCCCCC(=O)O

Isomeric SMILES

C1=CC(=CC=C1C2=CC=C(C=C2)Br)C(=O)CCCCCCC(=O)O

InChI

InChI=1S/C20H21BrO3/c21-18-13-11-16(12-14-18)15-7-9-17(10-8-15)19(22)5-3-1-2-4-6-20(23)24/h7-14H,1-6H2,(H,23,24)