2,3-bis[(2,2-dimethyl-5-nitro-1,3-dioxan-5-yl)methyl]naphthalene-1,4-dione

Systemtic Name: 2,3-bis[(2,2-dimethyl-5-nitro-1,3-dioxan-5-yl)methyl]naphthalene-1,4-dione Openeye Name: 2,3-bis[(2,2-dimethyl-5-nitro-1,3-dioxan-5-yl)methyl]naphthalene-1,4-dione CAS Name: 2,3-bis[(2,2-dimethyl-5-nitro-1,3-dioxan-5-yl)methyl]naphthalene-1,4-dione IUPAC Name: 2,3-bis[(2,2-dimethyl-5-nitro-1,3-dioxan-5-yl)methyl]naphthalene-1,4-dione Traditional Name: 2,3-bis[(2,2-dimethyl-5-nitro-1,3-dioxan-5-yl)methyl]-1,4-naphthoquinone Formula: C24H28N2O10 MolecularWeight: 504.48652

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Descriptors Computed from Structure

Canonical SMILES:

CC1(OCC(CO1)(CC2=C(C(=O)C3=CC=CC=C3C2=O)CC4(COC(OC4)(C)C)[N+](=O)[O-])[N+](=O)[O-])C

Isomeric SMILES

CC1(OCC(CO1)(CC2=C(C(=O)C3=CC=CC=C3C2=O)CC4(COC(OC4)(C)C)[N+](=O)[O-])[N+](=O)[O-])C

InChI

InChI=1S/C24H28N2O10/c1-21(2)33-11-23(12-34-21,25(29)30)9-17-18(20(28)16-8-6-5-7-15(16)19(17)27)10-24(26(31)32)13-35-22(3,4)36-14-24/h5-8H,9-14H2,1-4H3