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

Systemtic Name: 2,3-bis[(2,2-dimethyl-5-nitro-1,3-dioxan-5-yl)methyl]anthracene-1,4-dione Openeye Name: 2,3-bis[(2,2-dimethyl-5-nitro-1,3-dioxan-5-yl)methyl]anthracene-1,4-dione CAS Name: 2,3-bis[(2,2-dimethyl-5-nitro-1,3-dioxan-5-yl)methyl]anthracene-1,4-dione IUPAC Name: 2,3-bis[(2,2-dimethyl-5-nitro-1,3-dioxan-5-yl)methyl]anthracene-1,4-dione Traditional Name: 2,3-bis[(2,2-dimethyl-5-nitro-1,3-dioxan-5-yl)methyl]-1,4-anthraquinone Formula: C28H30N2O10 MolecularWeight: 554.5452

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Descriptors Computed from Structure

Canonical SMILES:

CC1(OCC(CO1)(CC2=C(C(=O)C3=CC4=CC=CC=C4C=C3C2=O)CC5(COC(OC5)(C)C)[N+](=O)[O-])[N+](=O)[O-])C

Isomeric SMILES

CC1(OCC(CO1)(CC2=C(C(=O)C3=CC4=CC=CC=C4C=C3C2=O)CC5(COC(OC5)(C)C)[N+](=O)[O-])[N+](=O)[O-])C

InChI

InChI=1S/C28H30N2O10/c1-25(2)37-13-27(14-38-25,29(33)34)11-21-22(12-28(30(35)36)15-39-26(3,4)40-16-28)24(32)20-10-18-8-6-5-7-17(18)9-19(20)23(21)31/h5-10H,11-16H2,1-4H3