6-(bromanylmethyl)benzo[a]pyrene

Systemtic Name: 6-(bromanylmethyl)benzo[a]pyrene Openeye Name: 6-(bromomethyl)benzo[a]pyrene CAS Name: 6-(bromomethyl)benzo[a]pyrene IUPAC Name: 6-(bromomethyl)benzo[a]pyrene Traditional Name: 6-(bromomethyl)benzo[a]pyrene Formula: C21H13Br MolecularWeight: 346.224575

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C3=C4C(=C2CBr)C=CC5=CC=CC(=C54)C=C3

Isomeric SMILES

C1=CC=C2C(=C1)C3=C4C(=C2[13CH2]Br)C=CC5=CC=CC(=C54)C=C3

InChI

InChI=1S/C21H13Br/c22-12-19-16-7-2-1-6-15(16)17-10-8-13-4-3-5-14-9-11-18(19)21(17)20(13)14/h1-11H,12H2/i12+1