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

Systemtic Name: 3-ethoxy-4,5,6-triheptyl-benzene-1,2-diolate Openeye Name: 3-ethoxy-4,5,6-triheptyl-benzene-1,2-diolate CAS Name: 3-ethoxy-4,5,6-triheptylbenzene-1,2-diolate IUPAC Name: 3-ethoxy-4,5,6-triheptylbenzene-1,2-diolate Traditional Name: 3-ethoxy-4,5,6-triheptyl-benzene-1,2-diolate Formula: C29H50O3-2 MolecularWeight: 446.7055

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=C(C(=C(C(=C1CCCCCCC)OCC)[O-])[O-])CCCCCCC

Isomeric SMILES

CCCCCCCC1=C(C(=C(C(=C1CCCCCCC)OCC)[O-])[O-])CCCCCCC

InChI

InChI=1S/C29H52O3/c1-5-9-12-15-18-21-24-25(22-19-16-13-10-6-2)27(30)28(31)29(32-8-4)26(24)23-20-17-14-11-7-3/h30-31H,5-23H2,1-4H3/p-2