2-bromanyl-1-phenyl-ethanone; octane

Systemtic Name: 2-bromanyl-1-phenyl-ethanone; octane Openeye Name: 2-bromo-1-phenyl-ethanone; octane CAS Name: 2-bromo-1-phenylethanone; octane IUPAC Name: 2-bromo-1-phenylethanone; octane Traditional Name: 2-bromo-1-phenyl-ethanone; n-octane Formula: C16H25BrO MolecularWeight: 313.2731

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC.C1=CC=C(C=C1)C(=O)CBr

Isomeric SMILES

CCCCCCCC.C1=CC=C(C=C1)C(=O)CBr

InChI

InChI=1S/C8H7BrO.C8H18/c9-6-8(10)7-4-2-1-3-5-7;1-3-5-7-8-6-4-2/h1-5H,6H2;3-8H2,1-2H3