6-methoxybenzo[a]pyrene

Systemtic Name: 6-methoxybenzo[a]pyrene Openeye Name: 6-methoxybenzo[a]pyrene CAS Name: 6-methoxybenzo[a]pyrene IUPAC Name: 6-methoxybenzo[a]pyrene Traditional Name: 6-methoxybenzo[a]pyrene Formula: C21H14O MolecularWeight: 282.33526

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C2C=CC3=CC=CC4=C3C2=C(C=C4)C5=CC=CC=C51

Isomeric SMILES

COC1=C2C=CC3=CC=CC4=C3C2=C(C=C4)C5=CC=CC=C51

InChI

InChI=1S/C21H14O/c1-22-21-17-8-3-2-7-15(17)16-11-9-13-5-4-6-14-10-12-18(21)20(16)19(13)14/h2-12H,1H3