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

Systemtic Name: 2-[2-(2,4-dichlorophenyl)-2-(1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]ethanesulfonic acid Openeye Name: 2-[2-(2,4-dichlorophenyl)-2-(1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]ethanesulfonic acid CAS Name: 2-[2-(2,4-dichlorophenyl)-2-(1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]ethanesulfonic acid IUPAC Name: 2-[2-(2,4-dichlorophenyl)-2-(1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]ethanesulfonic acid Traditional Name: 2-[2-(2,4-dichlorophenyl)-2-(1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]ethanesulfonic acid Formula: C14H15Cl2N3O5S MolecularWeight: 408.257

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C1C(OC(O1)(CN2C=NC=N2)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(7-19-9-17-8-18-19)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)