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3-methoxybenzo[a]pyrene

3-methoxybenzo[a]pyrene

Systemtic Name:3-methoxybenzo[a]pyrene
Openeye Name:3-methoxybenzo[a]pyrene
CAS Name:3-methoxybenzo[a]pyrene
IUPAC Name:3-methoxybenzo[a]pyrene
Traditional Name:3-methoxybenzo[a]pyrene
Formula: C21H14O
MolecularWeight: 282.33526
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Descriptors Computed from Structure

Canonical SMILES:

COC1=C2C=CC3=CC4=CC=CC=C4C5=C3C2=C(C=C5)C=C1


Isomeric SMILES

COC1=C2C=CC3=CC4=CC=CC=C4C5=C3C2=C(C=C5)C=C1


InChI

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


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