1,2-diphenylethyl 8-bromanyl-2-oxidanylidene-octanoate

Systemtic Name: 1,2-diphenylethyl 8-bromanyl-2-oxidanylidene-octanoate Openeye Name: 1,2-diphenylethyl 8-bromo-2-oxo-octanoate CAS Name: 8-bromo-2-oxooctanoic acid 1,2-diphenylethyl ester IUPAC Name: 1,2-diphenylethyl 8-bromo-2-oxooctanoate Traditional Name: 8-bromo-2-keto-caprylic acid 1,2-diphenylethyl ester Formula: C22H25BrO3 MolecularWeight: 417.3361

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C2=CC=CC=C2)OC(=O)C(=O)CCCCCCBr

Isomeric SMILES

C1=CC=C(C=C1)CC(C2=CC=CC=C2)OC(=O)C(=O)CCCCCCBr

InChI

InChI=1S/C22H25BrO3/c23-16-10-2-1-9-15-20(24)22(25)26-21(19-13-7-4-8-14-19)17-18-11-5-3-6-12-18/h3-8,11-14,21H,1-2,9-10,15-17H2