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

Systemtic Name: 3,4,5-trihexyl-6-nonoxy-benzene-1,2-diolate Openeye Name: 3,4,5-trihexyl-6-nonoxy-benzene-1,2-diolate CAS Name: 3,4,5-trihexyl-6-nonoxybenzene-1,2-diolate IUPAC Name: 3,4,5-trihexyl-6-nonoxybenzene-1,2-diolate Traditional Name: 3,4,5-trihexyl-6-nonoxy-benzene-1,2-diolate Formula: C33H58O3-2 MolecularWeight: 502.81182

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCOC1=C(C(=C(C(=C1[O-])[O-])CCCCCC)CCCCCC)CCCCCC

Isomeric SMILES

CCCCCCCCCOC1=C(C(=C(C(=C1[O-])[O-])CCCCCC)CCCCCC)CCCCCC

InChI

InChI=1S/C33H60O3/c1-5-9-13-17-18-19-23-27-36-33-30(26-22-16-12-8-4)28(24-20-14-10-6-2)29(31(34)32(33)35)25-21-15-11-7-3/h34-35H,5-27H2,1-4H3/p-2