5-methanidylbenzo[a]pyrene

Systemtic Name: 5-methanidylbenzo[a]pyrene Openeye Name: 5-methanidylbenzo[a]pyrene CAS Name: 5-methanidylbenzo[a]pyrene IUPAC Name: 5-methanidylbenzo[a]pyrene Traditional Name: 5-methanidylbenzo[a]pyrene Formula: C21H13- MolecularWeight: 265.32792

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Descriptors Computed from Structure

Canonical SMILES:

[CH2-]C1=CC2=CC=CC3=C2C4=C(C=C3)C5=CC=CC=C5C=C14

Isomeric SMILES

[CH2-]C1=CC2=CC=CC3=C2C4=C(C=C3)C5=CC=CC=C5C=C14

InChI

InChI=1S/C21H13/c1-13-11-16-7-4-6-14-9-10-18-17-8-3-2-5-15(17)12-19(13)21(18)20(14)16/h2-12H,1H2/q-1