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

Systemtic Name: 2-[2-(4-bromophenyl)-2-(1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]ethanesulfonate Openeye Name: 2-[2-(4-bromophenyl)-2-(1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]ethanesulfonate CAS Name: 2-[2-(4-bromophenyl)-2-(1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]ethanesulfonate IUPAC Name: 2-[2-(4-bromophenyl)-2-(1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]ethanesulfonate Traditional Name: 2-[2-(4-bromophenyl)-2-(1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]ethanesulfonate Formula: C14H15BrN3O5S- MolecularWeight: 417.255

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H16BrN3O5S/c15-12-3-1-11(2-4-12)14(8-18-10-16-9-17-18)22-7-13(23-14)5-6-24(19,20)21/h1-4,9-10,13H,5-8H2,(H,19,20,21)/p-1