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

Systemtic Name: 2-[2-(4-methoxyphenyl)-2-(1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]ethanesulfonate Openeye Name: 2-[2-(4-methoxyphenyl)-2-(1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]ethanesulfonate CAS Name: 2-[2-(4-methoxyphenyl)-2-(1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]ethanesulfonate IUPAC Name: 2-[2-(4-methoxyphenyl)-2-(1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]ethanesulfonate Traditional Name: 2-[2-(4-methoxyphenyl)-2-(1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]ethanesulfonate Formula: C15H18N3O6S- MolecularWeight: 368.38492

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2(OCC(O2)CCS(=O)(=O)[O-])CN3C=NC=N3

Isomeric SMILES

COC1=CC=C(C=C1)C2(OCC(O2)CCS(=O)(=O)[O-])CN3C=NC=N3

InChI

InChI=1S/C15H19N3O6S/c1-22-13-4-2-12(3-5-13)15(9-18-11-16-10-17-18)23-8-14(24-15)6-7-25(19,20)21/h2-5,10-11,14H,6-9H2,1H3,(H,19,20,21)/p-1