dimethyl 4,5-bis(4-bromophenyl)-3,6-dibutyl-benzene-1,2-dicarboxylate

Systemtic Name: dimethyl 4,5-bis(4-bromophenyl)-3,6-dibutyl-benzene-1,2-dicarboxylate Openeye Name: dimethyl 4,5-bis(4-bromophenyl)-3,6-dibutyl-benzene-1,2-dicarboxylate CAS Name: 4,5-bis(4-bromophenyl)-3,6-dibutylbenzene-1,2-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 4,5-bis(4-bromophenyl)-3,6-dibutylbenzene-1,2-dicarboxylate Traditional Name: 4,5-bis(4-bromophenyl)-3,6-dibutyl-benzene-1,2-dicarboxylic acid dimethyl ester Formula: C30H32Br2O4 MolecularWeight: 616.38068

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C(=C(C(=C1C2=CC=C(C=C2)Br)C3=CC=C(C=C3)Br)CCCC)C(=O)OC)C(=O)OC

Isomeric SMILES

CCCCC1=C(C(=C(C(=C1C2=CC=C(C=C2)Br)C3=CC=C(C=C3)Br)CCCC)C(=O)OC)C(=O)OC

InChI

InChI=1S/C30H32Br2O4/c1-5-7-9-23-25(19-11-15-21(31)16-12-19)26(20-13-17-22(32)18-14-20)24(10-8-6-2)28(30(34)36-4)27(23)29(33)35-3/h11-18H,5-10H2,1-4H3