2-methanidylbenzo[a]pyrene

Systemtic Name: 2-methanidylbenzo[a]pyrene Openeye Name: 2-methanidylbenzo[a]pyrene CAS Name: 2-methanidylbenzo[a]pyrene IUPAC Name: 2-methanidylbenzo[a]pyrene Traditional Name: 2-methanidylbenzo[a]pyrene Formula: C21H13- MolecularWeight: 265.32792

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

[CH2-]C1=CC2=C3C(=C1)C=CC4=CC5=CC=CC=C5C(=C43)C=C2

Isomeric SMILES

[CH2-]C1=CC2=C3C(=C1)C=CC4=CC5=CC=CC=C5C(=C43)C=C2

InChI

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