3-(9-hexylheptadecan-9-yloxy)benzene-1,2-diolate

Systemtic Name: 3-(9-hexylheptadecan-9-yloxy)benzene-1,2-diolate Openeye Name: 3-(1-hexyl-1-octyl-nonoxy)benzene-1,2-diolate CAS Name: 3-(9-hexylheptadecan-9-yloxy)benzene-1,2-diolate IUPAC Name: 3-(9-hexylheptadecan-9-yloxy)benzene-1,2-diolate Traditional Name: 3-(1-hexyl-1-octyl-nonoxy)benzene-1,2-diolate Formula: C29H50O3-2 MolecularWeight: 446.7055

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H52O3/c1-4-7-10-13-15-18-24-29(23-17-12-9-6-3,25-19-16-14-11-8-5-2)32-27-22-20-21-26(30)28(27)31/h20-22,30-31H,4-19,23-25H2,1-3H3/p-2