2-bromanyl-1-hexyl-cyclohexa-2,4-diene-1-carboxylate

Systemtic Name: 2-bromanyl-1-hexyl-cyclohexa-2,4-diene-1-carboxylate Openeye Name: 2-bromo-1-hexyl-cyclohexa-2,4-diene-1-carboxylate CAS Name: 2-bromo-1-hexyl-1-cyclohexa-2,4-dienecarboxylate IUPAC Name: 2-bromo-1-hexylcyclohexa-2,4-diene-1-carboxylate Traditional Name: 2-bromo-1-hexyl-cyclohexa-2,4-diene-1-carboxylate Formula: C13H18BrO2- MolecularWeight: 286.18482

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1(CC=CC=C1Br)C(=O)[O-]

Isomeric SMILES

CCCCCCC1(CC=CC=C1Br)C(=O)[O-]

InChI

InChI=1S/C13H19BrO2/c1-2-3-4-6-9-13(12(15)16)10-7-5-8-11(13)14/h5,7-8H,2-4,6,9-10H2,1H3,(H,15,16)/p-1