1-[5-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-ynyl 3,5-dinitrobenzoate

Systemtic Name: 1-[5-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-ynyl 3,5-dinitrobenzoate Openeye Name: 1-[5-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-ynyl 3,5-dinitrobenzoate CAS Name: 3,5-dinitrobenzoic acid 1-[5-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-ynyl ester IUPAC Name: 1-[5-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-ynyl 3,5-dinitrobenzoate Traditional Name: 3,5-dinitrobenzoic acid 1-[5-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-ynyl ester Formula: C20H22N2O10 MolecularWeight: 450.39608

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Descriptors Computed from Structure

Canonical SMILES:

CC1(OCC(O1)C2C(OC(O2)(C)C)C(C#C)OC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-])C

Isomeric SMILES

CC1(OCC(O1)C2C(OC(O2)(C)C)C(C#C)OC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-])C

InChI

InChI=1S/C20H22N2O10/c1-6-14(16-17(32-20(4,5)31-16)15-10-28-19(2,3)30-15)29-18(23)11-7-12(21(24)25)9-13(8-11)22(26)27/h1,7-9,14-17H,10H2,2-5H3