3-hexoxy-4,5,6-tri(nonyl)benzene-1,2-diolate

Systemtic Name: 3-hexoxy-4,5,6-tri(nonyl)benzene-1,2-diolate Openeye Name: 3-hexoxy-4,5,6-tri(nonyl)benzene-1,2-diolate CAS Name: 3-hexoxy-4,5,6-tri(nonyl)benzene-1,2-diolate IUPAC Name: 3-hexoxy-4,5,6-tri(nonyl)benzene-1,2-diolate Traditional Name: 3-hexoxy-4,5,6-tri(nonyl)benzene-1,2-diolate Formula: C39H70O3-2 MolecularWeight: 586.9713

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC1=C(C(=C(C(=C1CCCCCCCCC)OCCCCCC)[O-])[O-])CCCCCCCCC

Isomeric SMILES

CCCCCCCCCC1=C(C(=C(C(=C1CCCCCCCCC)OCCCCCC)[O-])[O-])CCCCCCCCC

InChI

InChI=1S/C39H72O3/c1-5-9-13-17-20-23-26-30-34-35(31-27-24-21-18-14-10-6-2)37(40)38(41)39(42-33-29-16-12-8-4)36(34)32-28-25-22-19-15-11-7-3/h40-41H,5-33H2,1-4H3/p-2