3-heptadecan-9-yloxybenzene-1,2-diolate

Systemtic Name: 3-heptadecan-9-yloxybenzene-1,2-diolate Openeye Name: 3-(1-octylnonoxy)benzene-1,2-diolate CAS Name: 3-heptadecan-9-yloxybenzene-1,2-diolate IUPAC Name: 3-heptadecan-9-yloxybenzene-1,2-diolate Traditional Name: 3-(1-octylnonoxy)benzene-1,2-diolate Formula: C23H38O3-2 MolecularWeight: 362.54602

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H40O3/c1-3-5-7-9-11-13-16-20(17-14-12-10-8-6-4-2)26-22-19-15-18-21(24)23(22)25/h15,18-20,24-25H,3-14,16-17H2,1-2H3/p-2