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

Systemtic Name: [2-(2,4-dichlorophenyl)-2-(1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methanesulfonic acid Openeye Name: [2-(2,4-dichlorophenyl)-2-(1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methanesulfonic acid CAS Name: [2-(2,4-dichlorophenyl)-2-(1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methanesulfonic acid IUPAC Name: [2-(2,4-dichlorophenyl)-2-(1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methanesulfonic acid Traditional Name: [2-(2,4-dichlorophenyl)-2-(1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methanesulfonic acid Formula: C13H13Cl2N3O5S MolecularWeight: 394.23042

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Descriptors Computed from Structure

Canonical SMILES:

C1C(OC(O1)(CN2C=NC=N2)C3=C(C=C(C=C3)Cl)Cl)CS(=O)(=O)O

Isomeric SMILES

C1C(OC(O1)(CN2C=NC=N2)C3=C(C=C(C=C3)Cl)Cl)CS(=O)(=O)O

InChI

InChI=1S/C13H13Cl2N3O5S/c14-9-1-2-11(12(15)3-9)13(6-18-8-16-7-17-18)22-4-10(23-13)5-24(19,20)21/h1-3,7-8,10H,4-6H2,(H,19,20,21)