3,4,5-tris-decyl-6-nitro-benzene-1,2-diol

Systemtic Name: 3,4,5-tris-decyl-6-nitro-benzene-1,2-diol Openeye Name: 3,4,5-tris-decyl-6-nitro-benzene-1,2-diol CAS Name: 3,4,5-tris-decyl-6-nitrobenzene-1,2-diol IUPAC Name: 3,4,5-tris-decyl-6-nitrobenzene-1,2-diol Traditional Name: 3,4,5-tris-decyl-6-nitro-pyrocatechol Formula: C36H65NO4 MolecularWeight: 575.9056

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC1=C(C(=C(C(=C1CCCCCCCCCC)O)O)[N+](=O)[O-])CCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCC1=C(C(=C(C(=C1CCCCCCCCCC)O)O)[N+](=O)[O-])CCCCCCCCCC

InChI

InChI=1S/C36H65NO4/c1-4-7-10-13-16-19-22-25-28-31-32(29-26-23-20-17-14-11-8-5-2)34(37(40)41)36(39)35(38)33(31)30-27-24-21-18-15-12-9-6-3/h38-39H,4-30H2,1-3H3