O4-[4-[3-bromanyl-4-(2-methylbutoxy)phenyl]phenyl] O1-octyl benzene-1,4-dicarboxylate

Systemtic Name: O4-[4-[3-bromanyl-4-(2-methylbutoxy)phenyl]phenyl] O1-octyl benzene-1,4-dicarboxylate Openeye Name: O4-[4-[3-bromo-4-(2-methylbutoxy)phenyl]phenyl] O1-octyl benzene-1,4-dicarboxylate CAS Name: benzene-1,4-dicarboxylic acid O4-[4-[3-bromo-4-(2-methylbutoxy)phenyl]phenyl] ester O1-octyl ester IUPAC Name: 4-O-[4-[3-bromo-4-(2-methylbutoxy)phenyl]phenyl] 1-O-octyl benzene-1,4-dicarboxylate Traditional Name: benzene-1,4-dicarboxylic acid O4-[4-[3-bromo-4-(2-methylbutoxy)phenyl]phenyl] ester O1-octyl ester Formula: C33H39BrO5 MolecularWeight: 595.56376

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC(=O)C1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C3=CC(=C(C=C3)OCC(C)CC)Br

Isomeric SMILES

CCCCCCCCOC(=O)C1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C3=CC(=C(C=C3)OCC(C)CC)Br

InChI

InChI=1S/C33H39BrO5/c1-4-6-7-8-9-10-21-37-32(35)26-11-13-27(14-12-26)33(36)39-29-18-15-25(16-19-29)28-17-20-31(30(34)22-28)38-23-24(3)5-2/h11-20,22,24H,4-10,21,23H2,1-3H3