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

Systemtic Name: 5-nitro-3,4-dioctyl-benzene-1,2-diol Openeye Name: 5-nitro-3,4-dioctyl-benzene-1,2-diol CAS Name: 5-nitro-3,4-dioctylbenzene-1,2-diol IUPAC Name: 5-nitro-3,4-dioctylbenzene-1,2-diol Traditional Name: 5-nitro-3,4-dioctyl-pyrocatechol Formula: C22H37NO4 MolecularWeight: 379.53348

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=C(C(=C(C=C1[N+](=O)[O-])O)O)CCCCCCCC

Isomeric SMILES

CCCCCCCCC1=C(C(=C(C=C1[N+](=O)[O-])O)O)CCCCCCCC

InChI

InChI=1S/C22H37NO4/c1-3-5-7-9-11-13-15-18-19(16-14-12-10-8-6-4-2)22(25)21(24)17-20(18)23(26)27/h17,24-25H,3-16H2,1-2H3