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

Systemtic Name: 3-bromanyl-4,5,6-trioctyl-benzene-1,2-diolate Openeye Name: 3-bromo-4,5,6-trioctyl-benzene-1,2-diolate CAS Name: 3-bromo-4,5,6-trioctylbenzene-1,2-diolate IUPAC Name: 3-bromo-4,5,6-trioctylbenzene-1,2-diolate Traditional Name: 3-bromo-4,5,6-trioctyl-benzene-1,2-diolate Formula: C30H51BrO2-2 MolecularWeight: 523.62874

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=C(C(=C(C(=C1CCCCCCCC)Br)[O-])[O-])CCCCCCCC

Isomeric SMILES

CCCCCCCCC1=C(C(=C(C(=C1CCCCCCCC)Br)[O-])[O-])CCCCCCCC

InChI

InChI=1S/C30H53BrO2/c1-4-7-10-13-16-19-22-25-26(23-20-17-14-11-8-5-2)28(31)30(33)29(32)27(25)24-21-18-15-12-9-6-3/h32-33H,4-24H2,1-3H3/p-2