ethyl 7,8,9,10-tetrahydrobenzo[a]pyrene-10-carboxylate

Systemtic Name: ethyl 7,8,9,10-tetrahydrobenzo[a]pyrene-10-carboxylate Openeye Name: ethyl 7,8,9,10-tetrahydrobenzo[a]pyrene-10-carboxylate CAS Name: 7,8,9,10-tetrahydrobenzo[a]pyrene-10-carboxylic acid ethyl ester IUPAC Name: ethyl 7,8,9,10-tetrahydrobenzo[a]pyrene-10-carboxylate Traditional Name: 7,8,9,10-tetrahydrobenzo[a]pyrene-10-carboxylic acid ethyl ester Formula: C23H20O2 MolecularWeight: 328.4037

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCC2=C1C3=C4C(=C2)C=CC5=C4C(=CC=C5)C=C3

Isomeric SMILES

CCOC(=O)C1CCCC2=C1C3=C4C(=C2)C=CC5=C4C(=CC=C5)C=C3

InChI

InChI=1S/C23H20O2/c1-2-25-23(24)19-8-4-7-16-13-17-10-9-14-5-3-6-15-11-12-18(21(16)19)22(17)20(14)15/h3,5-6,9-13,19H,2,4,7-8H2,1H3