diethyl 12-[(4-bromophenyl)methyl]-5H-benzo[c]anthracene-6,6-dicarboxylate

Systemtic Name: diethyl 12-[(4-bromophenyl)methyl]-5H-benzo[c]anthracene-6,6-dicarboxylate Openeye Name: diethyl 12-[(4-bromophenyl)methyl]-5H-benzo[c]anthracene-6,6-dicarboxylate CAS Name: 12-[(4-bromophenyl)methyl]-5H-benzo[c]anthracene-6,6-dicarboxylic acid diethyl ester IUPAC Name: diethyl 12-[(4-bromophenyl)methyl]-5H-benzo[c]anthracene-6,6-dicarboxylate Traditional Name: 12-(4-bromobenzyl)-5H-benz[c]anthracene-6,6-dicarboxylic acid diethyl ester Formula: C31H27BrO4 MolecularWeight: 543.44768

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CC2=CC=CC=C2C3=C(C4=CC=CC=C4C=C31)CC5=CC=C(C=C5)Br)C(=O)OCC

Isomeric SMILES

CCOC(=O)C1(CC2=CC=CC=C2C3=C(C4=CC=CC=C4C=C31)CC5=CC=C(C=C5)Br)C(=O)OCC

InChI

InChI=1S/C31H27BrO4/c1-3-35-29(33)31(30(34)36-4-2)19-22-10-6-8-12-25(22)28-26(17-20-13-15-23(32)16-14-20)24-11-7-5-9-21(24)18-27(28)31/h5-16,18H,3-4,17,19H2,1-2H3