methyl benzo[a]pyrene-10-carboxylate

Systemtic Name: methyl benzo[a]pyrene-10-carboxylate Openeye Name: methyl benzo[a]pyrene-10-carboxylate CAS Name: 10-benzo[a]pyrenecarboxylic acid methyl ester IUPAC Name: methyl benzo[a]pyrene-10-carboxylate Traditional Name: benzo[a]pyrene-10-carboxylic acid methyl ester Formula: C22H14O2 MolecularWeight: 310.34536

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC2=CC3=C4C(=C21)C=CC5=CC=CC(=C54)C=C3

Isomeric SMILES

COC(=O)C1=CC=CC2=CC3=C4C(=C21)C=CC5=CC=CC(=C54)C=C3

InChI

InChI=1S/C22H14O2/c1-24-22(23)18-7-3-6-15-12-16-9-8-13-4-2-5-14-10-11-17(20(15)18)21(16)19(13)14/h2-12H,1H3