1-(2-butan-2-ylsulfonylethyl)-1,2,3-triazole-4-carboxylic acid

Systemtic Name: 1-(2-butan-2-ylsulfonylethyl)-1,2,3-triazole-4-carboxylic acid Openeye Name: 1-(2-sec-butylsulfonylethyl)triazole-4-carboxylic acid CAS Name: 1-(2-butan-2-ylsulfonylethyl)-4-triazolecarboxylic acid IUPAC Name: 1-(2-butan-2-ylsulfonylethyl)triazole-4-carboxylic acid Traditional Name: 1-(2-sec-butylsulfonylethyl)triazole-4-carboxylic acid Formula: C9H15N3O4S MolecularWeight: 261.2981

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)S(=O)(=O)CCN1C=C(N=N1)C(=O)O

Isomeric SMILES

CCC(C)S(=O)(=O)CCN1C=C(N=N1)C(=O)O

InChI

InChI=1S/C9H15N3O4S/c1-3-7(2)17(15,16)5-4-12-6-8(9(13)14)10-11-12/h6-7H,3-5H2,1-2H3,(H,13,14)