3-(8-heptylpentadecan-8-yloxy)benzene-1,2-diolate

Systemtic Name: 3-(8-heptylpentadecan-8-yloxy)benzene-1,2-diolate Openeye Name: 3-(1,1-diheptyloctoxy)benzene-1,2-diolate CAS Name: 3-(8-heptylpentadecan-8-yloxy)benzene-1,2-diolate IUPAC Name: 3-(8-heptylpentadecan-8-yloxy)benzene-1,2-diolate Traditional Name: 3-(1,1-diheptyloctoxy)benzene-1,2-diolate Formula: C28H48O3-2 MolecularWeight: 432.67892

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H50O3/c1-4-7-10-13-16-22-28(23-17-14-11-8-5-2,24-18-15-12-9-6-3)31-26-21-19-20-25(29)27(26)30/h19-21,29-30H,4-18,22-24H2,1-3H3/p-2