sodium 2-(5-thiophen-3-yl-1,2,3,4-tetrazol-2-yl)butanoate

Systemtic Name: sodium 2-(5-thiophen-3-yl-1,2,3,4-tetrazol-2-yl)butanoate Openeye Name: sodium 2-[5-(3-thienyl)tetrazol-2-yl]butanoate CAS Name: sodium 2-[5-(3-thiophenyl)-2-tetrazolyl]butanoate IUPAC Name: sodium 2-(5-thiophen-3-yltetrazol-2-yl)butanoate Traditional Name: sodium 2-[5-(3-thienyl)tetrazol-2-yl]butyrate Formula: C9H9N4NaO2S MolecularWeight: 260.24813

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)[O-])N1N=C(N=N1)C2=CSC=C2.[Na+]

Isomeric SMILES

CCC(C(=O)[O-])N1N=C(N=N1)C2=CSC=C2.[Na+]

InChI

InChI=1S/C9H10N4O2S.Na/c1-2-7(9(14)15)13-11-8(10-12-13)6-3-4-16-5-6;/h3-5,7H,2H2,1H3,(H,14,15);/q;+1/p-1