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3-methylbenzo[a]pyrene

3-methylbenzo[a]pyrene

Systemtic Name:3-methylbenzo[a]pyrene
Openeye Name:3-methylbenzo[a]pyrene
CAS Name:3-methylbenzo[a]pyrene
IUPAC Name:3-methylbenzo[a]pyrene
Traditional Name:3-methylbenzo[a]pyrene
Formula: C21H14
MolecularWeight: 266.33586
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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C=CC3=CC4=CC=CC=C4C5=C3C2=C(C=C1)C=C5


Isomeric SMILES

CC1=C2C=CC3=CC4=CC=CC=C4C5=C3C2=C(C=C1)C=C5


InChI

InChI=1S/C21H14/c1-13-6-7-14-8-11-19-18-5-3-2-4-15(18)12-16-9-10-17(13)20(14)21(16)19/h2-12H,1H3


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