benzo[b]pyrene-6-carbaldehyde

Systemtic Name: benzo[b]pyrene-6-carbaldehyde Openeye Name: benzo[b]pyrene-6-carbaldehyde CAS Name: 6-benzo[b]pyrenecarboxaldehyde IUPAC Name: benzo[b]pyrene-6-carbaldehyde Traditional Name: benzo[b]pyrene-6-carbaldehyde Formula: C21H12O MolecularWeight: 280.31938

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C3=C4C(=C2C=O)C=CC5=CC=CC(=C54)C=C3

Isomeric SMILES

C1=CC=C2C(=C1)C3=C4C(=C2C=O)C=CC5=CC=CC(=C54)C=C3

InChI

InChI=1S/C21H12O/c22-12-19-16-7-2-1-6-15(16)17-10-8-13-4-3-5-14-9-11-18(19)21(17)20(13)14/h1-12H