3,4,5-tri(nonyl)-6-octoxy-benzene-1,2-diolate

Systemtic Name: 3,4,5-tri(nonyl)-6-octoxy-benzene-1,2-diolate Openeye Name: 3,4,5-tri(nonyl)-6-octoxy-benzene-1,2-diolate CAS Name: 3,4,5-tri(nonyl)-6-octoxybenzene-1,2-diolate IUPAC Name: 3,4,5-tri(nonyl)-6-octoxybenzene-1,2-diolate Traditional Name: 3,4,5-tri(nonyl)-6-octoxy-benzene-1,2-diolate Formula: C41H74O3-2 MolecularWeight: 615.02446

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC1=C(C(=C(C(=C1CCCCCCCCC)OCCCCCCCC)[O-])[O-])CCCCCCCCC

Isomeric SMILES

CCCCCCCCCC1=C(C(=C(C(=C1CCCCCCCCC)OCCCCCCCC)[O-])[O-])CCCCCCCCC

InChI

InChI=1S/C41H76O3/c1-5-9-13-17-21-24-28-32-36-37(33-29-25-22-18-14-10-6-2)39(42)40(43)41(44-35-31-27-20-16-12-8-4)38(36)34-30-26-23-19-15-11-7-3/h42-43H,5-35H2,1-4H3/p-2