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6-methoxybenzo[a]pyren-1-ol

6-methoxybenzo[a]pyren-1-ol

Systemtic Name:6-methoxybenzo[a]pyren-1-ol
Openeye Name:6-methoxybenzo[a]pyren-1-ol
CAS Name:6-methoxy-1-benzo[a]pyrenol
IUPAC Name:6-methoxybenzo[a]pyren-1-ol
Traditional Name:6-methoxybenzo[a]pyren-1-ol
Formula: C21H14O2
MolecularWeight: 298.33466
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Descriptors Computed from Structure

Canonical SMILES:

COC1=C2C=CC3=C4C2=C(C=CC4=C(C=C3)O)C5=CC=CC=C51


Isomeric SMILES

COC1=C2C=CC3=C4C2=C(C=CC4=C(C=C3)O)C5=CC=CC=C51


InChI

InChI=1S/C21H14O2/c1-23-21-15-5-3-2-4-13(15)14-9-10-16-18(22)11-7-12-6-8-17(21)20(14)19(12)16/h2-11,22H,1H3


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