3,4-diheptyl-5-nitro-benzene-1,2-diol

Systemtic Name: 3,4-diheptyl-5-nitro-benzene-1,2-diol Openeye Name: 3,4-diheptyl-5-nitro-benzene-1,2-diol CAS Name: 3,4-diheptyl-5-nitrobenzene-1,2-diol IUPAC Name: 3,4-diheptyl-5-nitrobenzene-1,2-diol Traditional Name: 3,4-diheptyl-5-nitro-pyrocatechol Formula: C20H33NO4 MolecularWeight: 351.48032

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=C(C(=C(C=C1[N+](=O)[O-])O)O)CCCCCCC

Isomeric SMILES

CCCCCCCC1=C(C(=C(C=C1[N+](=O)[O-])O)O)CCCCCCC

InChI

InChI=1S/C20H33NO4/c1-3-5-7-9-11-13-16-17(14-12-10-8-6-4-2)20(23)19(22)15-18(16)21(24)25/h15,22-23H,3-14H2,1-2H3