5-methoxybenzo[a]pyrene

Systemtic Name: 5-methoxybenzo[a]pyrene Openeye Name: 5-methoxybenzo[a]pyrene CAS Name: 5-methoxybenzo[a]pyrene IUPAC Name: 5-methoxybenzo[a]pyrene Traditional Name: 5-methoxybenzo[a]pyrene Formula: C21H14O MolecularWeight: 282.33526

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=CC=CC3=C2C4=C(C=C3)C5=CC=CC=C5C=C14

Isomeric SMILES

COC1=CC2=CC=CC3=C2C4=C(C=C3)C5=CC=CC=C5C=C14

InChI

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