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

Systemtic Name: 2-[2-(4-methylphenyl)-2-(1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]ethanesulfonate Openeye Name: 2-[2-(p-tolyl)-2-(1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]ethanesulfonate CAS Name: 2-[2-(4-methylphenyl)-2-(1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]ethanesulfonate IUPAC Name: 2-[2-(4-methylphenyl)-2-(1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]ethanesulfonate Traditional Name: 2-[2-(p-tolyl)-2-(1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]ethanesulfonate Formula: C15H18N3O5S- MolecularWeight: 352.38552

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2(OCC(O2)CCS(=O)(=O)[O-])CN3C=NC=N3

Isomeric SMILES

CC1=CC=C(C=C1)C2(OCC(O2)CCS(=O)(=O)[O-])CN3C=NC=N3

InChI

InChI=1S/C15H19N3O5S/c1-12-2-4-13(5-3-12)15(9-18-11-16-10-17-18)22-8-14(23-15)6-7-24(19,20)21/h2-5,10-11,14H,6-9H2,1H3,(H,19,20,21)/p-1