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

Systemtic Name: 3-heptoxy-4,5,6-trihexyl-benzene-1,2-diolate Openeye Name: 3-heptoxy-4,5,6-trihexyl-benzene-1,2-diolate CAS Name: 3-heptoxy-4,5,6-trihexylbenzene-1,2-diolate IUPAC Name: 3-heptoxy-4,5,6-trihexylbenzene-1,2-diolate Traditional Name: 3-heptoxy-4,5,6-trihexyl-benzene-1,2-diolate Formula: C31H54O3-2 MolecularWeight: 474.75866

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H56O3/c1-5-9-13-17-21-25-34-31-28(24-20-16-12-8-4)26(22-18-14-10-6-2)27(29(32)30(31)33)23-19-15-11-7-3/h32-33H,5-25H2,1-4H3/p-2