5-(3-methyl-3-oxidanyl-but-1-ynyl)thiophene-2-carboxylate

Systemtic Name: 5-(3-methyl-3-oxidanyl-but-1-ynyl)thiophene-2-carboxylate Openeye Name: 5-(3-hydroxy-3-methyl-but-1-ynyl)thiophene-2-carboxylate CAS Name: 5-(3-hydroxy-3-methylbut-1-ynyl)-2-thiophenecarboxylate IUPAC Name: 5-(3-hydroxy-3-methylbut-1-ynyl)thiophene-2-carboxylate Traditional Name: 5-(3-hydroxy-3-methyl-but-1-ynyl)-2-thenoate Formula: C10H9O3S- MolecularWeight: 209.24166

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C#CC1=CC=C(S1)C(=O)[O-])O

Isomeric SMILES

CC(C)(C#CC1=CC=C(S1)C(=O)[O-])O

InChI

InChI=1S/C10H10O3S/c1-10(2,13)6-5-7-3-4-8(14-7)9(11)12/h3-4,13H,1-2H3,(H,11,12)/p-1