4-dodecylbenzenesulfonate; 2H-1,2,3,4-tetrazol-1-ium

Systemtic Name: 4-dodecylbenzenesulfonate; 2H-1,2,3,4-tetrazol-1-ium Openeye Name: 4-dodecylbenzenesulfonate; 2H-tetrazol-1-ium CAS Name: 4-dodecylbenzenesulfonate; 2H-tetrazol-1-ium IUPAC Name: 4-dodecylbenzenesulfonate; 2H-tetrazol-1-ium Traditional Name: 4-laurylbesylate; 2H-tetrazol-1-ium Formula: C19H32N4O3S MolecularWeight: 396.54738

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC1=CC=C(C=C1)S(=O)(=O)[O-].C1=[NH+]NN=N1

Isomeric SMILES

CCCCCCCCCCCCC1=CC=C(C=C1)S(=O)(=O)[O-].C1=[NH+]NN=N1

InChI

InChI=1S/C18H30O3S.CH2N4/c1-2-3-4-5-6-7-8-9-10-11-12-17-13-15-18(16-14-17)22(19,20)21;1-2-4-5-3-1/h13-16H,2-12H2,1H3,(H,19,20,21);1H,(H,2,3,4,5)