2-[2-phenyl-2-(1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]ethanesulfonate

Systemtic Name: 2-[2-phenyl-2-(1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]ethanesulfonate Openeye Name: 2-[2-phenyl-2-(1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]ethanesulfonate CAS Name: 2-[2-phenyl-2-(1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]ethanesulfonate IUPAC Name: 2-[2-phenyl-2-(1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]ethanesulfonate Traditional Name: 2-[2-phenyl-2-(1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]ethanesulfonate Formula: C14H16N3O5S- MolecularWeight: 338.35894

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(OC(O1)(CN2C=NC=N2)C3=CC=CC=C3)CCS(=O)(=O)[O-]

Isomeric SMILES

C1C(OC(O1)(CN2C=NC=N2)C3=CC=CC=C3)CCS(=O)(=O)[O-]

InChI

InChI=1S/C14H17N3O5S/c18-23(19,20)7-6-13-8-21-14(22-13,9-17-11-15-10-16-17)12-4-2-1-3-5-12/h1-5,10-11,13H,6-9H2,(H,18,19,20)/p-1