3,4,5-triheptyl-6-nitro-benzene-1,2-diol

Systemtic Name: 3,4,5-triheptyl-6-nitro-benzene-1,2-diol Openeye Name: 3,4,5-triheptyl-6-nitro-benzene-1,2-diol CAS Name: 3,4,5-triheptyl-6-nitrobenzene-1,2-diol IUPAC Name: 3,4,5-triheptyl-6-nitrobenzene-1,2-diol Traditional Name: 3,4,5-triheptyl-6-nitro-pyrocatechol Formula: C27H47NO4 MolecularWeight: 449.66638

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=C(C(=C(C(=C1CCCCCCC)O)O)[N+](=O)[O-])CCCCCCC

Isomeric SMILES

CCCCCCCC1=C(C(=C(C(=C1CCCCCCC)O)O)[N+](=O)[O-])CCCCCCC

InChI

InChI=1S/C27H47NO4/c1-4-7-10-13-16-19-22-23(20-17-14-11-8-5-2)25(28(31)32)27(30)26(29)24(22)21-18-15-12-9-6-3/h29-30H,4-21H2,1-3H3