2-[4-tert-butyl-2,2-dimethyl-6-[(2-nitrophenyl)sulfonyloxymethyl]-1,3-dioxan-4-yl]ethanoic acid

Systemtic Name: 2-[4-tert-butyl-2,2-dimethyl-6-[(2-nitrophenyl)sulfonyloxymethyl]-1,3-dioxan-4-yl]ethanoic acid Openeye Name: 2-[4-tert-butyl-2,2-dimethyl-6-[(2-nitrophenyl)sulfonyloxymethyl]-1,3-dioxan-4-yl]acetic acid CAS Name: 2-[4-tert-butyl-2,2-dimethyl-6-[(2-nitrophenyl)sulfonyloxymethyl]-1,3-dioxan-4-yl]acetic acid IUPAC Name: 2-[4-tert-butyl-2,2-dimethyl-6-[(2-nitrophenyl)sulfonyloxymethyl]-1,3-dioxan-4-yl]acetic acid Traditional Name: 2-[4-tert-butyl-2,2-dimethyl-6-[(2-nitrophenyl)sulfonyloxymethyl]-1,3-dioxan-4-yl]acetic acid Formula: C19H27NO9S MolecularWeight: 445.48398

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Descriptors Computed from Structure

Canonical SMILES:

CC1(OC(CC(O1)(CC(=O)O)C(C)(C)C)COS(=O)(=O)C2=CC=CC=C2[N+](=O)[O-])C

Isomeric SMILES

CC1(OC(CC(O1)(CC(=O)O)C(C)(C)C)COS(=O)(=O)C2=CC=CC=C2[N+](=O)[O-])C

InChI

InChI=1S/C19H27NO9S/c1-17(2,3)19(11-16(21)22)10-13(28-18(4,5)29-19)12-27-30(25,26)15-9-7-6-8-14(15)20(23)24/h6-9,13H,10-12H2,1-5H3,(H,21,22)