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

Systemtic Name: 3-pentoxy-4,5,6-tripentyl-benzene-1,2-diolate Openeye Name: 3-pentoxy-4,5,6-tripentyl-benzene-1,2-diolate CAS Name: 3-pentoxy-4,5,6-tripentylbenzene-1,2-diolate IUPAC Name: 3-pentoxy-4,5,6-tripentylbenzene-1,2-diolate Traditional Name: 3-amoxy-4,5,6-triamyl-benzene-1,2-diolate Formula: C26H44O3-2 MolecularWeight: 404.62576

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H46O3/c1-5-9-13-17-21-22(18-14-10-6-2)24(27)25(28)26(29-20-16-12-8-4)23(21)19-15-11-7-3/h27-28H,5-20H2,1-4H3/p-2