3-(1,1-dibutoxyheptyl)benzene-1,2-diolate

Systemtic Name: 3-(1,1-dibutoxyheptyl)benzene-1,2-diolate Openeye Name: 3-(1,1-dibutoxyheptyl)benzene-1,2-diolate CAS Name: 3-(1,1-dibutoxyheptyl)benzene-1,2-diolate IUPAC Name: 3-(1,1-dibutoxyheptyl)benzene-1,2-diolate Traditional Name: 3-(1,1-dibutoxyheptyl)benzene-1,2-diolate Formula: C21H34O4-2 MolecularWeight: 350.49226

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C1=C(C(=CC=C1)[O-])[O-])(OCCCC)OCCCC

Isomeric SMILES

CCCCCCC(C1=C(C(=CC=C1)[O-])[O-])(OCCCC)OCCCC

InChI

InChI=1S/C21H36O4/c1-4-7-10-11-15-21(24-16-8-5-2,25-17-9-6-3)18-13-12-14-19(22)20(18)23/h12-14,22-23H,4-11,15-17H2,1-3H3/p-2