5-[(1-phenyl-1,2,3,4-tetrazol-5-yl)oxy]pentyl 4-methylbenzenesulfonate

Systemtic Name: 5-[(1-phenyl-1,2,3,4-tetrazol-5-yl)oxy]pentyl 4-methylbenzenesulfonate Openeye Name: 5-(1-phenyltetrazol-5-yl)oxypentyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 5-[(1-phenyl-5-tetrazolyl)oxy]pentyl ester IUPAC Name: 5-(1-phenyltetrazol-5-yl)oxypentyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 5-(1-phenyltetrazol-5-yl)oxypentyl ester Formula: C19H22N4O4S MolecularWeight: 402.46738

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCCCCCOC2=NN=NN2C3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCCCCCOC2=NN=NN2C3=CC=CC=C3

InChI

InChI=1S/C19H22N4O4S/c1-16-10-12-18(13-11-16)28(24,25)27-15-7-3-6-14-26-19-20-21-22-23(19)17-8-4-2-5-9-17/h2,4-5,8-13H,3,6-7,14-15H2,1H3