3,5-dimethyl-2-nitro-terephthalate

Systemtic Name: 3,5-dimethyl-2-nitro-terephthalate Openeye Name: 3,5-dimethyl-2-nitro-terephthalate CAS Name: 3,5-dimethyl-2-nitroterephthalate IUPAC Name: 3,5-dimethyl-2-nitroterephthalate Traditional Name: 3,5-dimethyl-2-nitro-terephthalate Formula: C10H7NO6-2 MolecularWeight: 237.16568

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C(=C1)C(=O)[O-])[N+](=O)[O-])C)C(=O)[O-]

Isomeric SMILES

CC1=C(C(=C(C(=C1)C(=O)[O-])[N+](=O)[O-])C)C(=O)[O-]

InChI

InChI=1S/C10H9NO6/c1-4-3-6(9(12)13)8(11(16)17)5(2)7(4)10(14)15/h3H,1-2H3,(H,12,13)(H,14,15)/p-2