benzo[b]pyren-6-yl methanoate

Systemtic Name: benzo[b]pyren-6-yl methanoate Openeye Name: benzo[b]pyren-6-yl formate CAS Name: formic acid 6-benzo[b]pyrenyl ester IUPAC Name: benzo[b]pyren-6-yl formate Traditional Name: formic acid benzo[b]pyren-6-yl ester Formula: C21H12O2 MolecularWeight: 296.31878

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C3=C4C(=C2OC=O)C=CC5=CC=CC(=C54)C=C3

Isomeric SMILES

C1=CC=C2C(=C1)C3=C4C(=C2OC=O)C=CC5=CC=CC(=C54)C=C3

InChI

InChI=1S/C21H12O2/c22-12-23-21-17-7-2-1-6-15(17)16-10-8-13-4-3-5-14-9-11-18(21)20(16)19(13)14/h1-12H