3,4,5-tris-decyl-6-nonoxy-benzene-1,2-diolate

Systemtic Name: 3,4,5-tris-decyl-6-nonoxy-benzene-1,2-diolate Openeye Name: 3,4,5-tris-decyl-6-nonoxy-benzene-1,2-diolate CAS Name: 3,4,5-tris-decyl-6-nonoxybenzene-1,2-diolate IUPAC Name: 3,4,5-tris-decyl-6-nonoxybenzene-1,2-diolate Traditional Name: 3,4,5-tris-decyl-6-nonoxy-benzene-1,2-diolate Formula: C45H82O3-2 MolecularWeight: 671.13078

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC1=C(C(=C(C(=C1CCCCCCCCCC)OCCCCCCCCC)[O-])[O-])CCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCC1=C(C(=C(C(=C1CCCCCCCCCC)OCCCCCCCCC)[O-])[O-])CCCCCCCCCC

InChI

InChI=1S/C45H84O3/c1-5-9-13-17-21-24-28-32-36-40-41(37-33-29-25-22-18-14-10-6-2)43(46)44(47)45(48-39-35-31-27-20-16-12-8-4)42(40)38-34-30-26-23-19-15-11-7-3/h46-47H,5-39H2,1-4H3/p-2