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

Systemtic Name: 3-henicosan-9-yloxybenzene-1,2-diolate Openeye Name: 3-(1-octyltridecoxy)benzene-1,2-diolate CAS Name: 3-heneicosan-9-yloxybenzene-1,2-diolate IUPAC Name: 3-henicosan-9-yloxybenzene-1,2-diolate Traditional Name: 3-(1-octyltridecoxy)benzene-1,2-diolate Formula: C27H46O3-2 MolecularWeight: 418.65234

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H48O3/c1-3-5-7-9-11-12-13-14-16-18-21-24(20-17-15-10-8-6-4-2)30-26-23-19-22-25(28)27(26)29/h19,22-24,28-29H,3-18,20-21H2,1-2H3/p-2