2-[2-[4-(4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)phenyl]-1,2,3,4-tetrazol-2-ium-2-yl]butanoic acid

Systemtic Name: 2-[2-[4-(4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)phenyl]-1,2,3,4-tetrazol-2-ium-2-yl]butanoic acid Openeye Name: 2-[2-[4-(4-acetyl-3-hydroxy-2-propyl-phenoxy)phenyl]tetrazol-2-ium-2-yl]butanoic acid CAS Name: 2-[2-[4-(4-acetyl-3-hydroxy-2-propylphenoxy)phenyl]-2-tetrazol-2-iumyl]butanoic acid IUPAC Name: 2-[2-[4-(4-acetyl-3-hydroxy-2-propylphenoxy)phenyl]tetrazol-2-ium-2-yl]butanoic acid Traditional Name: 2-[2-[4-(4-acetyl-3-hydroxy-2-propyl-phenoxy)phenyl]tetrazol-2-ium-2-yl]butyric acid Formula: C22H25N4O5+ MolecularWeight: 425.4577

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1O)C(=O)C)OC2=CC=C(C=C2)[N+]3(N=CN=N3)C(CC)C(=O)O

Isomeric SMILES

CCCC1=C(C=CC(=C1O)C(=O)C)OC2=CC=C(C=C2)[N+]3(N=CN=N3)C(CC)C(=O)O

InChI

InChI=1S/C22H24N4O5/c1-4-6-18-20(12-11-17(14(3)27)21(18)28)31-16-9-7-15(8-10-16)26(24-13-23-25-26)19(5-2)22(29)30/h7-13,19H,4-6H2,1-3H3,(H-,27,28,29,30)/p+1