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

Systemtic Name: 2,3-bis[(1-nitrocyclohexyl)methyl]naphthalene-1,4-dione Openeye Name: 2,3-bis[(1-nitrocyclohexyl)methyl]naphthalene-1,4-dione CAS Name: 2,3-bis[(1-nitrocyclohexyl)methyl]naphthalene-1,4-dione IUPAC Name: 2,3-bis[(1-nitrocyclohexyl)methyl]naphthalene-1,4-dione Traditional Name: 2,3-bis[(1-nitrocyclohexyl)methyl]-1,4-naphthoquinone Formula: C24H28N2O6 MolecularWeight: 440.48892

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(CC2=C(C(=O)C3=CC=CC=C3C2=O)CC4(CCCCC4)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1CCC(CC1)(CC2=C(C(=O)C3=CC=CC=C3C2=O)CC4(CCCCC4)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C24H28N2O6/c27-21-17-9-3-4-10-18(17)22(28)20(16-24(26(31)32)13-7-2-8-14-24)19(21)15-23(25(29)30)11-5-1-6-12-23/h3-4,9-10H,1-2,5-8,11-16H2