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

Systemtic Name: 3,4,5-tris-decyl-6-hexoxy-benzene-1,2-diolate Openeye Name: 3,4,5-tris-decyl-6-hexoxy-benzene-1,2-diolate CAS Name: 3,4,5-tris-decyl-6-hexoxybenzene-1,2-diolate IUPAC Name: 3,4,5-tris-decyl-6-hexoxybenzene-1,2-diolate Traditional Name: 3,4,5-tris-decyl-6-hexoxy-benzene-1,2-diolate Formula: C42H76O3-2 MolecularWeight: 629.05104

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C42H78O3/c1-5-9-13-17-20-23-26-29-33-37-38(34-30-27-24-21-18-14-10-6-2)40(43)41(44)42(45-36-32-16-12-8-4)39(37)35-31-28-25-22-19-15-11-7-3/h43-44H,5-36H2,1-4H3/p-2