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

Systemtic Name: 3-heptoxy-4,5,6-tripentyl-benzene-1,2-diolate Openeye Name: 3-heptoxy-4,5,6-tripentyl-benzene-1,2-diolate CAS Name: 3-heptoxy-4,5,6-tripentylbenzene-1,2-diolate IUPAC Name: 3-heptoxy-4,5,6-tripentylbenzene-1,2-diolate Traditional Name: 3,4,5-triamyl-6-heptoxy-benzene-1,2-diolate Formula: C28H48O3-2 MolecularWeight: 432.67892

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=C(C(=C(C(=C1[O-])[O-])CCCCC)CCCCC)CCCCC

Isomeric SMILES

CCCCCCCOC1=C(C(=C(C(=C1[O-])[O-])CCCCC)CCCCC)CCCCC

InChI

InChI=1S/C28H50O3/c1-5-9-13-14-18-22-31-28-25(21-17-12-8-4)23(19-15-10-6-2)24(20-16-11-7-3)26(29)27(28)30/h29-30H,5-22H2,1-4H3/p-2