ethyl 5,6,12-triphenylbenzo[a]anthracene-7-carboxylate

Systemtic Name: ethyl 5,6,12-triphenylbenzo[a]anthracene-7-carboxylate Openeye Name: ethyl 5,6,12-triphenylbenzo[a]anthracene-7-carboxylate CAS Name: 5,6,12-triphenyl-7-benzo[a]anthracenecarboxylic acid ethyl ester IUPAC Name: ethyl 5,6,12-triphenylbenzo[a]anthracene-7-carboxylate Traditional Name: 5,6,12-triphenylbenz[a]anthracene-7-carboxylic acid ethyl ester Formula: C39H28O2 MolecularWeight: 528.63842

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C2C(=C(C3=CC=CC=C3C2=C(C4=CC=CC=C41)C5=CC=CC=C5)C6=CC=CC=C6)C7=CC=CC=C7

Isomeric SMILES

CCOC(=O)C1=C2C(=C(C3=CC=CC=C3C2=C(C4=CC=CC=C41)C5=CC=CC=C5)C6=CC=CC=C6)C7=CC=CC=C7

InChI

InChI=1S/C39H28O2/c1-2-41-39(40)37-32-25-15-13-23-30(32)34(27-18-8-4-9-19-27)36-31-24-14-12-22-29(31)33(26-16-6-3-7-17-26)35(38(36)37)28-20-10-5-11-21-28/h3-25H,2H2,1H3