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

Systemtic Name: 3-hexadecan-8-yloxybenzene-1,2-diolate Openeye Name: 3-(1-heptylnonoxy)benzene-1,2-diolate CAS Name: 3-hexadecan-8-yloxybenzene-1,2-diolate IUPAC Name: 3-hexadecan-8-yloxybenzene-1,2-diolate Traditional Name: 3-(1-heptylnonoxy)benzene-1,2-diolate Formula: C22H36O3-2 MolecularWeight: 348.51944

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H38O3/c1-3-5-7-9-11-13-16-19(15-12-10-8-6-4-2)25-21-18-14-17-20(23)22(21)24/h14,17-19,23-24H,3-13,15-16H2,1-2H3/p-2