3-decoxy-4,5,6-triheptyl-benzene-1,2-diolate

Systemtic Name: 3-decoxy-4,5,6-triheptyl-benzene-1,2-diolate Openeye Name: 3-decoxy-4,5,6-triheptyl-benzene-1,2-diolate CAS Name: 3-decoxy-4,5,6-triheptylbenzene-1,2-diolate IUPAC Name: 3-decoxy-4,5,6-triheptylbenzene-1,2-diolate Traditional Name: 3-decoxy-4,5,6-triheptyl-benzene-1,2-diolate Formula: C37H66O3-2 MolecularWeight: 558.91814

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCOC1=C(C(=C(C(=C1[O-])[O-])CCCCCCC)CCCCCCC)CCCCCCC

Isomeric SMILES

CCCCCCCCCCOC1=C(C(=C(C(=C1[O-])[O-])CCCCCCC)CCCCCCC)CCCCCCC

InChI

InChI=1S/C37H68O3/c1-5-9-13-17-18-19-23-27-31-40-37-34(30-26-22-16-12-8-4)32(28-24-20-14-10-6-2)33(35(38)36(37)39)29-25-21-15-11-7-3/h38-39H,5-31H2,1-4H3/p-2