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

Systemtic Name: 3,4,5-tris-decyl-6-octoxy-benzene-1,2-diolate Openeye Name: 3,4,5-tris-decyl-6-octoxy-benzene-1,2-diolate CAS Name: 3,4,5-tris-decyl-6-octoxybenzene-1,2-diolate IUPAC Name: 3,4,5-tris-decyl-6-octoxybenzene-1,2-diolate Traditional Name: 3,4,5-tris-decyl-6-octoxy-benzene-1,2-diolate Formula: C44H80O3-2 MolecularWeight: 657.1042

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C44H82O3/c1-5-9-13-17-21-24-27-31-35-39-40(36-32-28-25-22-18-14-10-6-2)42(45)43(46)44(47-38-34-30-20-16-12-8-4)41(39)37-33-29-26-23-19-15-11-7-3/h45-46H,5-38H2,1-4H3/p-2