2,3-bis[(1-nitrocyclooctyl)methyl]naphthalene-1,4-dione

Systemtic Name: 2,3-bis[(1-nitrocyclooctyl)methyl]naphthalene-1,4-dione Openeye Name: 2,3-bis[(1-nitrocyclooctyl)methyl]naphthalene-1,4-dione CAS Name: 2,3-bis[(1-nitrocyclooctyl)methyl]naphthalene-1,4-dione IUPAC Name: 2,3-bis[(1-nitrocyclooctyl)methyl]naphthalene-1,4-dione Traditional Name: 2,3-bis[(1-nitrocyclooctyl)methyl]-1,4-naphthoquinone Formula: C28H36N2O6 MolecularWeight: 496.59524

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CCC1)(CC2=C(C(=O)C3=CC=CC=C3C2=O)CC4(CCCCCCC4)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1CCCC(CCC1)(CC2=C(C(=O)C3=CC=CC=C3C2=O)CC4(CCCCCCC4)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C28H36N2O6/c31-25-21-13-7-8-14-22(21)26(32)24(20-28(30(35)36)17-11-5-2-6-12-18-28)23(25)19-27(29(33)34)15-9-3-1-4-10-16-27/h7-8,13-14H,1-6,9-12,15-20H2