4-nitro-2-(2,5,5-trimethyl-1,3-dioxan-2-yl)benzoic acid

Systemtic Name: 4-nitro-2-(2,5,5-trimethyl-1,3-dioxan-2-yl)benzoic acid Openeye Name: 4-nitro-2-(2,5,5-trimethyl-1,3-dioxan-2-yl)benzoic acid CAS Name: 4-nitro-2-(2,5,5-trimethyl-1,3-dioxan-2-yl)benzoic acid IUPAC Name: 4-nitro-2-(2,5,5-trimethyl-1,3-dioxan-2-yl)benzoic acid Traditional Name: 4-nitro-2-(2,5,5-trimethyl-1,3-dioxan-2-yl)benzoic acid Formula: C14H17NO6 MolecularWeight: 295.28788

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Descriptors Computed from Structure

Canonical SMILES:

CC1(COC(OC1)(C)C2=C(C=CC(=C2)[N+](=O)[O-])C(=O)O)C

Isomeric SMILES

CC1(COC(OC1)(C)C2=C(C=CC(=C2)[N+](=O)[O-])C(=O)O)C

InChI

InChI=1S/C14H17NO6/c1-13(2)7-20-14(3,21-8-13)11-6-9(15(18)19)4-5-10(11)12(16)17/h4-6H,7-8H2,1-3H3,(H,16,17)