3-bromanyl-4,5,6-trihexyl-benzene-1,2-diolate

Systemtic Name: 3-bromanyl-4,5,6-trihexyl-benzene-1,2-diolate Openeye Name: 3-bromo-4,5,6-trihexyl-benzene-1,2-diolate CAS Name: 3-bromo-4,5,6-trihexylbenzene-1,2-diolate IUPAC Name: 3-bromo-4,5,6-trihexylbenzene-1,2-diolate Traditional Name: 3-bromo-4,5,6-trihexyl-benzene-1,2-diolate Formula: C24H39BrO2-2 MolecularWeight: 439.46926

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=C(C(=C(C(=C1CCCCCC)Br)[O-])[O-])CCCCCC

Isomeric SMILES

CCCCCCC1=C(C(=C(C(=C1CCCCCC)Br)[O-])[O-])CCCCCC

InChI

InChI=1S/C24H41BrO2/c1-4-7-10-13-16-19-20(17-14-11-8-5-2)22(25)24(27)23(26)21(19)18-15-12-9-6-3/h26-27H,4-18H2,1-3H3/p-2