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

Systemtic Name: 3-(9-octylheptadecan-9-yloxy)benzene-1,2-diolate Openeye Name: 3-(1,1-dioctylnonoxy)benzene-1,2-diolate CAS Name: 3-(9-octylheptadecan-9-yloxy)benzene-1,2-diolate IUPAC Name: 3-(9-octylheptadecan-9-yloxy)benzene-1,2-diolate Traditional Name: 3-(1,1-dioctylnonoxy)benzene-1,2-diolate Formula: C31H54O3-2 MolecularWeight: 474.75866

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H56O3/c1-4-7-10-13-16-19-25-31(26-20-17-14-11-8-5-2,27-21-18-15-12-9-6-3)34-29-24-22-23-28(32)30(29)33/h22-24,32-33H,4-21,25-27H2,1-3H3/p-2