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

Systemtic Name: 3-hexoxy-4,5,6-tripentyl-benzene-1,2-diolate Openeye Name: 3-hexoxy-4,5,6-tripentyl-benzene-1,2-diolate CAS Name: 3-hexoxy-4,5,6-tripentylbenzene-1,2-diolate IUPAC Name: 3-hexoxy-4,5,6-tripentylbenzene-1,2-diolate Traditional Name: 3,4,5-triamyl-6-hexoxy-benzene-1,2-diolate Formula: C27H46O3-2 MolecularWeight: 418.65234

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=C(C(=C(C(=C1[O-])[O-])CCCCC)CCCCC)CCCCC

Isomeric SMILES

CCCCCCOC1=C(C(=C(C(=C1[O-])[O-])CCCCC)CCCCC)CCCCC

InChI

InChI=1S/C27H48O3/c1-5-9-13-17-21-30-27-24(20-16-12-8-4)22(18-14-10-6-2)23(19-15-11-7-3)25(28)26(27)29/h28-29H,5-21H2,1-4H3/p-2