2-methyl-4-nitro-2-thiophen-2-yl-pentanoic acid

Systemtic Name: 2-methyl-4-nitro-2-thiophen-2-yl-pentanoic acid Openeye Name: 2-methyl-4-nitro-2-(2-thienyl)pentanoic acid CAS Name: 2-methyl-4-nitro-2-thiophen-2-ylpentanoic acid IUPAC Name: 2-methyl-4-nitro-2-thiophen-2-ylpentanoic acid Traditional Name: 2-methyl-4-nitro-2-(2-thienyl)valeric acid Formula: C10H13NO4S MolecularWeight: 243.27952

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(C)(C1=CC=CS1)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

CC(CC(C)(C1=CC=CS1)C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C10H13NO4S/c1-7(11(14)15)6-10(2,9(12)13)8-4-3-5-16-8/h3-5,7H,6H2,1-2H3,(H,12,13)