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

Systemtic Name: 3-(8-butylpentadecan-8-yloxy)benzene-1,2-diolate Openeye Name: 3-(1-butyl-1-heptyl-octoxy)benzene-1,2-diolate CAS Name: 3-(8-butylpentadecan-8-yloxy)benzene-1,2-diolate IUPAC Name: 3-(8-butylpentadecan-8-yloxy)benzene-1,2-diolate Traditional Name: 3-(1-butyl-1-heptyl-octoxy)benzene-1,2-diolate Formula: C25H42O3-2 MolecularWeight: 390.59918

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H44O3/c1-4-7-10-12-14-20-25(19-9-6-3,21-15-13-11-8-5-2)28-23-18-16-17-22(26)24(23)27/h16-18,26-27H,4-15,19-21H2,1-3H3/p-2