phenyl 2-[(1-tert-butyl-1,2,3,4-tetrazol-5-yl)sulfanyl]ethanesulfonate

Systemtic Name: phenyl 2-[(1-tert-butyl-1,2,3,4-tetrazol-5-yl)sulfanyl]ethanesulfonate Openeye Name: phenyl 2-(1-tert-butyltetrazol-5-yl)sulfanylethanesulfonate CAS Name: 2-[(1-tert-butyl-5-tetrazolyl)thio]ethanesulfonic acid phenyl ester IUPAC Name: phenyl 2-(1-tert-butyltetrazol-5-yl)sulfanylethanesulfonate Traditional Name: 2-[(1-tert-butyltetrazol-5-yl)thio]ethanesulfonic acid phenyl ester Formula: C13H18N4O3S2 MolecularWeight: 342.43702

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N1C(=NN=N1)SCCS(=O)(=O)OC2=CC=CC=C2

Isomeric SMILES

CC(C)(C)N1C(=NN=N1)SCCS(=O)(=O)OC2=CC=CC=C2

InChI

InChI=1S/C13H18N4O3S2/c1-13(2,3)17-12(14-15-16-17)21-9-10-22(18,19)20-11-7-5-4-6-8-11/h4-8H,9-10H2,1-3H3