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

Systemtic Name: 2-[2-(2,4-dichlorophenyl)-2-(1,2,4-triazol-4-ylmethyl)-1,3-dioxolan-4-yl]ethanesulfonate Openeye Name: 2-[2-(2,4-dichlorophenyl)-2-(1,2,4-triazol-4-ylmethyl)-1,3-dioxolan-4-yl]ethanesulfonate CAS Name: 2-[2-(2,4-dichlorophenyl)-2-(1,2,4-triazol-4-ylmethyl)-1,3-dioxolan-4-yl]ethanesulfonate IUPAC Name: 2-[2-(2,4-dichlorophenyl)-2-(1,2,4-triazol-4-ylmethyl)-1,3-dioxolan-4-yl]ethanesulfonate Traditional Name: 2-[2-(2,4-dichlorophenyl)-2-(1,2,4-triazol-4-ylmethyl)-1,3-dioxolan-4-yl]ethanesulfonate Formula: C14H14Cl2N3O5S- MolecularWeight: 407.24906

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Descriptors Computed from Structure

Canonical SMILES:

C1C(OC(O1)(CN2C=NN=C2)C3=C(C=C(C=C3)Cl)Cl)CCS(=O)(=O)[O-]

Isomeric SMILES

C1C(OC(O1)(CN2C=NN=C2)C3=C(C=C(C=C3)Cl)Cl)CCS(=O)(=O)[O-]

InChI

InChI=1S/C14H15Cl2N3O5S/c15-10-1-2-12(13(16)5-10)14(7-19-8-17-18-9-19)23-6-11(24-14)3-4-25(20,21)22/h1-2,5,8-9,11H,3-4,6-7H2,(H,20,21,22)/p-1