3-decoxy-4,5-didecyl-benzene-1,2-diolate

Systemtic Name: 3-decoxy-4,5-didecyl-benzene-1,2-diolate Openeye Name: 3-decoxy-4,5-didecyl-benzene-1,2-diolate CAS Name: 3-decoxy-4,5-didecylbenzene-1,2-diolate IUPAC Name: 3-decoxy-4,5-didecylbenzene-1,2-diolate Traditional Name: 3-decoxy-4,5-didecyl-benzene-1,2-diolate Formula: C36H64O3-2 MolecularWeight: 544.89156

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC1=CC(=C(C(=C1CCCCCCCCCC)OCCCCCCCCCC)[O-])[O-]

Isomeric SMILES

CCCCCCCCCCC1=CC(=C(C(=C1CCCCCCCCCC)OCCCCCCCCCC)[O-])[O-]

InChI

InChI=1S/C36H66O3/c1-4-7-10-13-16-19-22-25-28-32-31-34(37)35(38)36(39-30-27-24-21-18-15-12-9-6-3)33(32)29-26-23-20-17-14-11-8-5-2/h31,37-38H,4-30H2,1-3H3/p-2