3-icosan-8-yloxybenzene-1,2-diolate

Systemtic Name: 3-icosan-8-yloxybenzene-1,2-diolate Openeye Name: 3-(1-heptyltridecoxy)benzene-1,2-diolate CAS Name: 3-eicosan-8-yloxybenzene-1,2-diolate IUPAC Name: 3-icosan-8-yloxybenzene-1,2-diolate Traditional Name: 3-(1-heptyltridecoxy)benzene-1,2-diolate Formula: C26H44O3-2 MolecularWeight: 404.62576

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC(CCCCCCC)OC1=CC=CC(=C1[O-])[O-]

Isomeric SMILES

CCCCCCCCCCCCC(CCCCCCC)OC1=CC=CC(=C1[O-])[O-]

InChI

InChI=1S/C26H46O3/c1-3-5-7-9-10-11-12-13-15-17-20-23(19-16-14-8-6-4-2)29-25-22-18-21-24(27)26(25)28/h18,21-23,27-28H,3-17,19-20H2,1-2H3/p-2