2-[2-(1-oxidanyl-1-phenyl-dodecyl)-1,2,3,4-tetrazol-5-yl]ethanoic acid

Systemtic Name: 2-[2-(1-oxidanyl-1-phenyl-dodecyl)-1,2,3,4-tetrazol-5-yl]ethanoic acid Openeye Name: 2-[2-(1-hydroxy-1-phenyl-dodecyl)tetrazol-5-yl]acetic acid CAS Name: 2-[2-(1-hydroxy-1-phenyldodecyl)-5-tetrazolyl]acetic acid IUPAC Name: 2-[2-(1-hydroxy-1-phenyldodecyl)tetrazol-5-yl]acetic acid Traditional Name: 2-[2-(1-hydroxy-1-phenyl-dodecyl)tetrazol-5-yl]acetic acid Formula: C21H32N4O3 MolecularWeight: 388.50378

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(C1=CC=CC=C1)(N2N=C(N=N2)CC(=O)O)O

Isomeric SMILES

CCCCCCCCCCCC(C1=CC=CC=C1)(N2N=C(N=N2)CC(=O)O)O

InChI

InChI=1S/C21H32N4O3/c1-2-3-4-5-6-7-8-9-13-16-21(28,18-14-11-10-12-15-18)25-23-19(22-24-25)17-20(26)27/h10-12,14-15,28H,2-9,13,16-17H2,1H3,(H,26,27)