2-tert-butyl-2-(4-tert-butyl-3-nitro-thiophen-2-yl)propanedioic acid

Systemtic Name: 2-tert-butyl-2-(4-tert-butyl-3-nitro-thiophen-2-yl)propanedioic acid Openeye Name: 2-tert-butyl-2-(4-tert-butyl-3-nitro-2-thienyl)propanedioic acid CAS Name: 2-tert-butyl-2-(4-tert-butyl-3-nitro-2-thiophenyl)propanedioic acid IUPAC Name: 2-tert-butyl-2-(4-tert-butyl-3-nitrothiophen-2-yl)propanedioic acid Traditional Name: 2-tert-butyl-2-(4-tert-butyl-3-nitro-2-thienyl)malonic acid Formula: C15H21NO6S MolecularWeight: 343.39534

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CSC(=C1[N+](=O)[O-])C(C(=O)O)(C(=O)O)C(C)(C)C

Isomeric SMILES

CC(C)(C)C1=CSC(=C1[N+](=O)[O-])C(C(=O)O)(C(=O)O)C(C)(C)C

InChI

InChI=1S/C15H21NO6S/c1-13(2,3)8-7-23-10(9(8)16(21)22)15(11(17)18,12(19)20)14(4,5)6/h7H,1-6H3,(H,17,18)(H,19,20)