3-(11-hexylhenicosan-11-yloxy)benzene-1,2-diolate

Systemtic Name: 3-(11-hexylhenicosan-11-yloxy)benzene-1,2-diolate Openeye Name: 3-(1-decyl-1-hexyl-undecoxy)benzene-1,2-diolate CAS Name: 3-(11-hexylheneicosan-11-yloxy)benzene-1,2-diolate IUPAC Name: 3-(11-hexylhenicosan-11-yloxy)benzene-1,2-diolate Traditional Name: 3-(1-decyl-1-hexyl-undecoxy)benzene-1,2-diolate Formula: C33H58O3-2 MolecularWeight: 502.81182

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC(CCCCCC)(CCCCCCCCCC)OC1=CC=CC(=C1[O-])[O-]

Isomeric SMILES

CCCCCCCCCCC(CCCCCC)(CCCCCCCCCC)OC1=CC=CC(=C1[O-])[O-]

InChI

InChI=1S/C33H60O3/c1-4-7-10-13-15-17-19-22-28-33(27-21-12-9-6-3,29-23-20-18-16-14-11-8-5-2)36-31-26-24-25-30(34)32(31)35/h24-26,34-35H,4-23,27-29H2,1-3H3/p-2