3,6-dimethoxybenzo[a]pyrene

Systemtic Name: 3,6-dimethoxybenzo[a]pyrene Openeye Name: 3,6-dimethoxybenzo[a]pyrene CAS Name: 3,6-dimethoxybenzo[a]pyrene IUPAC Name: 3,6-dimethoxybenzo[a]pyrene Traditional Name: 3,6-dimethoxybenzo[a]pyrene Formula: C22H16O2 MolecularWeight: 312.36124

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C2C=CC3=C(C4=CC=CC=C4C5=C3C2=C(C=C5)C=C1)OC

Isomeric SMILES

COC1=C2C=CC3=C(C4=CC=CC=C4C5=C3C2=C(C=C5)C=C1)OC

InChI

InChI=1S/C22H16O2/c1-23-19-12-8-13-7-9-15-14-5-3-4-6-16(14)22(24-2)18-11-10-17(19)20(13)21(15)18/h3-12H,1-2H3