3-methanidylbenzo[a]pyrene

Systemtic Name: 3-methanidylbenzo[a]pyrene Openeye Name: 3-methanidylbenzo[a]pyrene CAS Name: 3-methanidylbenzo[a]pyrene IUPAC Name: 3-methanidylbenzo[a]pyrene Traditional Name: 3-methanidylbenzo[a]pyrene Formula: C21H13- MolecularWeight: 265.32792

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Descriptors Computed from Structure

Canonical SMILES:

[CH2-]C1=C2C=CC3=CC4=CC=CC=C4C5=C3C2=C(C=C1)C=C5

Isomeric SMILES

[CH2-]C1=C2C=CC3=CC4=CC=CC=C4C5=C3C2=C(C=C1)C=C5

InChI

InChI=1S/C21H13/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,1H2/q-1