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

Systemtic Name: 3-octoxy-4,5,6-tripentyl-benzene-1,2-diolate Openeye Name: 3-octoxy-4,5,6-tripentyl-benzene-1,2-diolate CAS Name: 3-octoxy-4,5,6-tripentylbenzene-1,2-diolate IUPAC Name: 3-octoxy-4,5,6-tripentylbenzene-1,2-diolate Traditional Name: 3,4,5-triamyl-6-octoxy-benzene-1,2-diolate Formula: C29H50O3-2 MolecularWeight: 446.7055

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=C(C(=C(C(=C1[O-])[O-])CCCCC)CCCCC)CCCCC

Isomeric SMILES

CCCCCCCCOC1=C(C(=C(C(=C1[O-])[O-])CCCCC)CCCCC)CCCCC

InChI

InChI=1S/C29H52O3/c1-5-9-13-14-15-19-23-32-29-26(22-18-12-8-4)24(20-16-10-6-2)25(21-17-11-7-3)27(30)28(29)31/h30-31H,5-23H2,1-4H3/p-2