3-butoxy-4,5,6-tripentyl-benzene-1,2-diolate

Systemtic Name: 3-butoxy-4,5,6-tripentyl-benzene-1,2-diolate Openeye Name: 3-butoxy-4,5,6-tripentyl-benzene-1,2-diolate CAS Name: 3-butoxy-4,5,6-tripentylbenzene-1,2-diolate IUPAC Name: 3-butoxy-4,5,6-tripentylbenzene-1,2-diolate Traditional Name: 3,4,5-triamyl-6-butoxy-benzene-1,2-diolate Formula: C25H42O3-2 MolecularWeight: 390.59918

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=C(C(=C(C(=C1CCCCC)OCCCC)[O-])[O-])CCCCC

Isomeric SMILES

CCCCCC1=C(C(=C(C(=C1CCCCC)OCCCC)[O-])[O-])CCCCC

InChI

InChI=1S/C25H44O3/c1-5-9-13-16-20-21(17-14-10-6-2)23(26)24(27)25(28-19-12-8-4)22(20)18-15-11-7-3/h26-27H,5-19H2,1-4H3/p-2