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

Systemtic Name: methyl 5,6,12-triphenylbenzo[a]anthracene-7-carboxylate Openeye Name: methyl 5,6,12-triphenylbenzo[a]anthracene-7-carboxylate CAS Name: 5,6,12-triphenyl-7-benzo[a]anthracenecarboxylic acid methyl ester IUPAC Name: methyl 5,6,12-triphenylbenzo[a]anthracene-7-carboxylate Traditional Name: 5,6,12-triphenylbenz[a]anthracene-7-carboxylic acid methyl ester Formula: C38H26O2 MolecularWeight: 514.61184

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Descriptors Computed from Structure

Canonical SMILES:

COC(=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

COC(=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/C38H26O2/c1-40-38(39)36-31-24-14-12-22-29(31)33(26-17-7-3-8-18-26)35-30-23-13-11-21-28(30)32(25-15-5-2-6-16-25)34(37(35)36)27-19-9-4-10-20-27/h2-24H,1H3